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(R,R)-(-)-1,2-Bis[(o-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
(R,R)-(-)-1,2-Bis[(o-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
ID: BP-12198
CAS:56977-92-5
Supplier:BroadPharm

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SMILES:P(c1c(OC)cccc1)(CCP(c1c(OC)cccc1)c1ccccc1)c1ccccc1.[B-](F)(F)(F)F.C1=CCCC=CCC1.[Rh+]	
FORMULA: C36H40BF4O2P2Rh
MASS: 756.3592
EXACT MASS: 756.1587761
INTERATOMIC DISTANCES

              P   1      P   2      B   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   P   2    3.9700     0.0000 
   B   3    8.3445     7.1283     0.0000 
   C   4    1.4980     5.1946     8.2302     0.0000 
   C   5    5.1988     1.5019     8.1364     6.5383     0.0000 
   C   6    1.5009     2.5976     7.2498     2.5970     3.9694     0.0000 
   C   7    2.6017     1.4976     7.8185     3.9694     2.5970     1.5003 
   C   8    4.5019     1.5003     5.6456     5.4072     2.6002     3.0010 
   C   9    1.4962     4.4995     9.7595     2.5943     5.4094     2.5945 
   C  10    2.5976     5.4067     6.9853     1.5003     6.8740     3.0001 
   C  11    5.4107     2.6001     9.5863     6.8739     1.5003     4.5003 
   F  12    9.6781     8.0261     1.5010     9.6599     8.8462     8.4944 
   F  13    9.2744     8.4885     1.4981     8.9470     9.5667     8.3271 
   F  14    7.2502     6.7068     1.4976     6.9595     7.9130     6.3237 
   F  15    7.8445     6.0025     1.5009     7.9993     6.8602     6.5795 
   C  16    8.0617    11.9388    15.2448     7.3334    12.9349     9.5597 
   C  17    9.3483    13.2753    16.1386     8.4870    14.3239    10.8334 
   C  18    8.2593    12.1646    13.5060     6.9779    13.4566     9.5698 
   C  19    6.7687    10.6900    12.4242     5.5173    11.9674     8.0997 
   O  20    4.4987     2.9965    10.1052     5.9967     2.5945     3.9639 
   O  21    3.0007     4.5004     5.6340     2.5968     6.0023     2.6002 
  Rh  22    7.4960    11.2490    11.9655     6.0840    12.6209     8.6620 
   C  23    6.5384     2.5970     7.9130     7.7916     1.4976     5.1946 
   C  24    2.5970     6.5384     9.5688     1.5009     7.7958     3.9687 
   C  25    3.9731     2.5976     4.8221     4.5019     3.9696     2.6023 
   C  26    2.5935     3.9638    10.1877     3.9639     4.4969     2.9923 
   C  27    2.5929     5.9971    10.9106     2.9965     6.8722     3.9638 
   C  28    6.0029     2.5984     5.3212     6.8740     3.0007     4.5019 
   C  29    6.8731     3.9667    10.6738     8.3485     2.5943     5.9967 
   C  30    3.9696     6.8740     7.3268     2.6002     8.3537     4.5020 
   C  31    5.9636     9.9336    12.5425     4.9341    11.1109     7.3995 
   C  32    6.5956    10.5060    13.7710     5.8316    11.5511     8.0887 
   C  33    9.8771    13.8459    16.0416     8.8344    14.9936    11.3187 
   C  34    9.4668    13.4167    15.0003     8.2694    14.6572    10.8369 
   C  35    5.4060     4.4968    11.5995     6.8703     3.9648     5.1911 
   C  36    4.5010     5.4085     4.4215     3.9681     6.8761     3.9709 
   C  37    3.9654     7.7916     9.8185     2.5970     9.1232     5.1940 
   C  38    7.7958     3.9696     9.2066     9.1232     2.5970     6.5383 
   C  39    5.1968     3.9653     3.3310     5.4075     5.1945     3.9690 
   C  40    3.9634     5.1913    11.6713     5.1911     5.4042     4.4927 
   C  41    3.9640     6.8710    12.3076     4.4968     7.4979     5.1913 
   C  42    6.8769     3.9690     4.0157     7.5005     4.5010     5.4108 
   C  43    4.4981     7.9349     8.8014     3.0001     9.3670     5.4073 
   C  44    7.9387     4.5003    10.5067     9.3664     2.9984     6.8731 
   C  45    6.5413     4.5010     2.7385     6.8741     5.4108     5.1991 
   C  46    4.4968     6.5376    12.6540     5.4054     6.8738     5.4047 

              C   7      C   8      C   9      C  10      C  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5968     0.0000 
   C   9    3.0019     5.4075     0.0000 
   C  10    4.5004     5.1946     3.9653     0.0000 
   C  11    3.0000     3.9709     5.1982     7.5004     0.0000 
   F  12    8.8975     6.5263    11.0526     8.4549    10.3363     0.0000 
   F  13    9.0543     7.0308    10.7379     7.5779    10.9954     2.0292 
   F  14    7.1283     5.3190     8.7144     5.6340     9.2770     2.9876 
   F  15    6.8929     4.5024     9.1640     6.9446     8.3412     2.0243 
   C  16   10.4620    12.5568     7.5255     8.3015    12.6067    16.7315 
   C  17   11.8149    13.8125     8.9230     9.3047    14.0491    17.6364 
   C  18   10.8601    12.3189     8.4373     7.2434    13.5667    15.0001 
   C  19    9.3704    10.8924     6.9426     5.8995    12.0667    13.9249 
   O  20    2.5943     4.4968     3.9694     6.8703     1.4984    11.0221 
   O  21    3.9700     3.9694     4.4968     1.4976     6.8761     7.0713 
  Rh  22   10.0510    11.2316     7.9573     6.0517    12.9008    13.4510 
   C  23    3.9647     3.0001     6.8722     7.9349     2.5968     8.3810 
   C  24    5.1988     6.8740     2.9984     2.5984     7.9390    11.0262 
   C  25    3.0007     1.4980     5.1968     3.9700     5.1978     5.9594 
   C  26    2.5945     5.1913     1.5003     5.1911     3.9674    11.3640 
   C  27    4.4995     6.8710     1.4976     4.4968     6.5374    12.2631 
   C  28    3.9673     1.5009     6.8738     6.5384     4.5010     5.8819 
   C  29    4.4964     5.1945     6.5383     8.9968     1.4964    11.2836 
   C  30    6.0023     6.5383     5.1945     1.5019     9.0023     8.8275 
   C  31    8.5320    10.3251     5.8645     5.6810    11.0578    14.0369 
   C  32    9.0420    11.0801     6.1547     6.8117    11.3043    15.2536 
   C  33   12.4294    14.2367     9.6620     9.4350    14.8521    17.5422 
   C  34   12.0635    13.6573     9.4798     8.6541    14.6654    16.4951 
   C  35    3.9653     5.9972     4.5004     7.9336     2.5945    12.5222 
   C  36    5.1970     4.5003     5.9972     2.5968     7.9395     5.9097 
   C  37    6.5383     7.9346     4.4964     2.9985     9.3669    11.3121 
   C  38    5.1940     4.5020     7.9374     9.3670     2.9985     9.5308 
   C  39    4.4968     2.5943     6.5349     4.4995     6.5369     4.5255 
   C  40    3.9648     6.5337     2.5969     6.5334     4.4968    12.8241 
   C  41    5.4075     7.9346     2.5968     5.9972     6.8722    13.6274 
   C  42    5.1952     2.5984     7.9370     6.8741     6.0013     4.4181 
   C  43    6.8740     7.7916     5.4052     2.5970     9.8360    10.3023 
   C  44    5.4066     5.4085     7.7958     9.8349     2.5976    10.9243 
   C  45    5.4084     3.0007     7.7936     5.9996     6.8766     3.5278 
   C  46    5.1968     7.7936     3.0007     6.8713     6.0003    13.8856 

              F  13      F  14      F  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   F  13    0.0000 
   F  14    2.0243     0.0000 
   F  15    2.9876     2.3792     0.0000 
   C  16   15.6535    13.8293    15.2376     0.0000 
   C  17   16.4331    14.6880    16.2422     1.5000     0.0000 
   C  18   13.5649    12.0126    13.8698     3.9192     3.6208     0.0000 
   C  19   12.6092    10.9460    12.6786     3.6208     3.9192     1.5000 
   O  20   11.4329     9.5809     8.9987    11.2153    12.6751    12.4062 
   O  21    6.3845     4.3789     5.4781     9.7601    10.7928     8.7044 
  Rh  22   11.9572    10.4682    12.4131     5.1754     5.1754     1.6771 
   C  23    9.3982     7.9697     6.5048    14.3918    15.7655    14.7597 
   C  24   10.1723     8.2319     9.4334     5.8425     6.9864     5.6638 
   C  25    6.0614     4.1755     3.9997    11.8210    12.9884    11.2029 
   C  26   11.3100     9.3132     9.3900     8.6412    10.0906     9.8752 
   C  27   11.7774     9.7595    10.4373     6.0852     7.5136     7.3911 
   C  28    6.8024     5.4064     3.9420    14.0565    15.3060    13.7344 
   C  29   12.1241    10.5042     9.3419    13.7980    15.2638    14.9598 
   C  30    7.6310     5.8637     7.5810     8.0258     8.8268     6.2959 
   C  31   12.9010    11.1068    12.6189     2.7740     3.6239     2.7724 
   C  32   14.2152    12.3672    13.7413     1.5026     2.7740     3.6210 
   C  33   16.1998    14.5617    16.2834     2.7702     1.4996     2.7686 
   C  34   15.0598    13.5076    15.3480     3.6210     2.7724     1.4967 
   C  35   12.9161    11.0443    10.4990    11.1417    12.6333    12.7917 
   C  36    4.9888     3.0385     4.5825    10.8235    11.7382     9.2895 
   C  37   10.2101     8.3887     9.9084     5.4460     6.3391     4.3920 
   C  38   10.7029     9.3760     7.7525    15.4486    16.8596    16.0533 
   C  39    4.5729     2.7422     2.6484    12.7103    13.7814    11.6616 
   C  40   12.8073    10.8127    10.8361     8.5452    10.0378    10.3552 
   C  41   13.2222    11.1998    11.7556     5.9488     7.4431     8.0216 
   C  42    5.5138     4.3920     2.5555    14.8147    15.9867    14.1126 
   C  43    9.0347     7.3268     9.0786     6.6933     7.3985     4.8032 
   C  44   11.9938    10.5496     9.0860    15.1761    16.6279    16.1460 
   C  45    4.2066     2.9013     1.5036    14.1936    15.2773    13.1463 
   C  46   13.6946    11.6755    11.9371     7.3042     8.8042     9.5197 

              C  19      O  20      O  21     Rh  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   O  20   10.9105     0.0000 
   O  21    7.3852     6.5356     0.0000 
  Rh  22    1.6771    11.8659     7.4433     0.0000 
   C  23   13.2824     3.9638     6.8740    13.8396     0.0000 
   C  24    4.1718     6.8731     3.9673     4.9929     9.1230     0.0000 
   C  25    9.8256     5.4054     2.6017    10.0124     4.4981     6.0029 
   C  26    8.3887     2.5970     5.4030     9.4489     5.9945     4.4987 
   C  27    5.9333     5.1946     5.4042     7.1609     8.3474     2.5968 
   C  28   12.3267     5.4047     5.1988    12.5898     2.5976     8.3530 
   C  29   13.4609     2.5970     8.3501    14.3460     2.9965     9.3664 
   C  30    5.1125     8.3501     2.5970     4.9143     9.3670     3.0007 
   C  31    1.4996     9.8141     7.1707     3.1353    12.4926     3.4511 
   C  32    2.7702     9.9551     8.2632     4.4447    12.9914     4.3399 
   C  33    3.6180    13.5378    10.9316     4.4429    16.3938     7.3650 
   C  34    2.7686    13.4345    10.1310     3.1329    16.0014     6.8788 
   C  35   11.3210     1.5003     7.7913    12.4372     5.1913     7.4987 
   C  36    8.1029     7.7913     1.5003     7.8590     7.5004     5.1952 
   C  37    2.9605     8.3485     4.4961     3.5340    10.3886     1.4980 
   C  38   14.5644     4.4969     8.3537    15.2000     1.5019    10.3928 
   C  39   10.3739     6.8673     3.0019    10.3238     5.4052     6.8738 
   C  40    8.9159     2.9985     6.8687    10.1568     6.8678     5.4060 
   C  41    6.6584     5.4072     6.8702     8.0725     8.9955     3.9671 
   C  42   12.7697     6.8704     5.4111    12.8400     3.9690     9.0014 
   C  43    3.6239     8.9968     3.9647     3.4787    10.4967     2.5976 
   C  44   14.6464     3.9687     9.0007    15.4331     2.5968    10.5008 
   C  45   11.8696     7.4975     4.5020    11.7847     5.1978     8.3525 
   C  46    8.1524     4.5019     7.4975     9.5443     8.3495     5.1945 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    5.4047     0.0000 
   C  27    6.5376     2.5976     0.0000 
   C  28    2.5970     6.5339     8.3495     0.0000 
   C  29    6.5357     5.1940     7.7916     5.4054     0.0000 
   C  30    5.1988     6.5356     5.4069     7.7958    10.4987     0.0000 
   C  31    9.4161     7.2392     4.6892    11.8030    12.3983     5.2701 
   C  32   10.3223     7.3608     4.7685    12.5782    12.5506     6.6048 
   C  33   13.2833    10.9409     8.3434    15.7084    16.1348     8.7290 
   C  34   12.5920    10.8595     8.2984    15.0948    16.0166     7.7682 
   C  35    6.8713     3.0001     5.4067     6.8704     2.9985     9.3659 
   C  36    3.0022     6.8687     6.8702     5.4107     9.3658     2.9985 
   C  37    6.8740     5.9967     3.9667     9.3662    10.8131     2.5968 
   C  38    6.0000     6.8704     9.3648     3.9696     2.5945    10.8180 
   C  39    1.4962     6.8663     7.7898     2.9984     7.7887     5.4094 
   C  40    6.8704     1.5003     2.9985     7.7897     5.4055     7.7913 
   C  41    7.7936     3.0010     1.5003     9.3653     7.9346     6.8727 
   C  42    2.9985     7.7898     9.3653     1.5003     6.8713     7.9387 
   C  43    6.5384     6.8703     5.1945     9.1230    11.3214     1.4976 
   C  44    6.8726     6.5374     9.1230     5.1945     1.5009    11.3254 
   C  45    2.5968     7.9330     9.1219     2.6001     7.9361     6.8741 
   C  46    7.9379     2.6023     2.5976     9.1238     6.8740     7.9362 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.5000     0.0000 
   C  33    3.9192     3.6208     0.0000 
   C  34    3.6208     3.9192     1.5000     0.0000 
   C  35   10.0935    10.0102    13.6305    13.6918     0.0000 
   C  36    8.1302     9.3501    11.7143    10.7657     9.1212     0.0000 
   C  37    2.7253     4.0096     6.4396     5.7287     8.9968     5.4049 
   C  38   13.6966    14.0920    17.5674    17.2518     5.4042     9.0023 
   C  39   10.1633    11.2085    13.9323    13.1062     8.3455     2.6012 
   C  40    7.6134     7.4348    11.0552    11.1760     2.5970     8.3467 
   C  41    5.2492     4.8828     8.4932     8.7090     5.1946     8.3484 
   C  42   12.4094    13.3175    16.2629    15.5280     8.3485     5.1988 
   C  43    3.9192     5.3360     7.2419     6.2716     9.8331     4.4961 
   C  44   13.6542    13.8915    17.4476    17.2593     4.4994     9.8366 
   C  45   11.6610    12.6912    15.4319    14.5965     8.9978     3.9700 
   C  46    6.7472     6.3315     9.9196    10.1900     3.9700     8.9978 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38   11.7134     0.0000 
   C  39    7.4979     6.8726     0.0000 
   C  40    6.8703     7.4954     8.3443     0.0000 
   C  41    5.1945     9.8329     9.1198     2.5976     0.0000 
   C  42    9.8350     5.1978     2.5976     9.1198    10.4980     0.0000 
   C  43    1.5003    11.9045     6.8722     7.9336     6.5370     9.3663 
   C  44   11.9041     1.4962     7.9335     6.8722     9.3662     6.5369 
   C  45    8.9981     6.5416     1.5002     9.3636    10.3904     1.5019 
   C  46    6.5357     8.9989     9.3642     1.5035     1.4980    10.3920 

              C  43      C  44      C  45      C  46
              --------------------------------------------
   C  43    0.0000 
   C  44   12.2764     0.0000 
   C  45    8.3494     7.7946     0.0000 
   C  46    7.7921     8.3530    10.4999     0.0000 



ATOMIC CHARGES
   P   1    0.0000000000
   P   2    0.0000000000
   B   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   F  12    0.0000000000
   F  13    0.0000000000
   F  14    0.0000000000
   F  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   O  20    0.0000000000
   O  21    0.0000000000
  Rh  22    0.0000000000
   C  23    0.0000000000
   C  24    0.0000000000
   C  25    0.0000000000
   C  26    0.0000000000
   C  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
   C  33    0.0000000000
   C  34    0.0000000000
   C  35    0.0000000000
   C  36    0.0000000000
   C  37    0.0000000000
   C  38    0.0000000000
   C  39    0.0000000000
   C  40    0.0000000000
   C  41    0.0000000000
   C  42    0.0000000000
   C  43    0.0000000000
   C  44    0.0000000000
   C  45    0.0000000000
   C  46    0.0000000000


BOND ANGLES
   4    1    6  Car    P   C3    119.987
   4    1    9  Car    P  Car    120.091
   6    1    9   C3    P  Car    119.922
   5    2    7  Car    P   C3    119.951
   7    2    8   C3    P  Car    120.037
   5    2    8  Car    P  Car    120.012
  12    3   13    F   B3    F     85.157
  12    3   14    F   B3    F    170.177
  12    3   15    F   B3    F     84.804
  13    3   14    F   B3    F     85.020
  13    3   15    F   B3    F    169.961
  14    3   15    F   B3    F    105.019
   1    4   10    P  Car  Car    120.074
   1    4   24    P  Car  Car    119.987
  10    4   24  Car  Car  Car    119.939
   2    5   11    P  Car  Car    120.009
   2    5   23    P  Car  Car    119.951
  11    5   23  Car  Car  Car    120.041
   1    6    7    P   C3   C3    120.197
   2    7    6    P   C3   C3    120.099
   2    8   25    P  Car  Car    120.074
   2    8   28    P  Car  Car    119.939
  25    8   28  Car  Car  Car    119.987
   1    9   26    P  Car  Car    119.881
   1    9   27    P  Car  Car    120.020
  26    9   27  Car  Car  Car    120.099
   4   10   21  Car  Car   O3    120.037
   4   10   30  Car  Car  Car    120.012
  21   10   30   O3  Car  Car    119.951
   5   11   20  Car  Car   O3    119.815
   5   11   29  Car  Car  Car    119.922
  20   11   29   O3  Car  Car    120.263
  17   16   32   C2   C2   C3    135.000
  16   17   33   C2   C2   C3    134.887
  19   18   34   C2   C2   C3    135.000
  18   19   31   C2   C2   C3    135.113
  11   20   35  Car   O3   C3    119.812
  10   21   36  Car   O3   C3    120.041
   5   23   38  Car  Car  Car    119.951
   4   24   37  Car  Car  Car    119.987
   8   25   39  Car  Car  Car    120.091
   9   26   40  Car  Car  Car    119.864
   9   27   41  Car  Car  Car    120.037
   8   28   42  Car  Car  Car    119.943
  11   29   44  Car  Car  Car    120.135
  10   30   43  Car  Car  Car    119.951
  19   31   32   C2   C3   C3    134.887
  16   32   31   C2   C3   C3    135.000
  17   33   34   C2   C3   C3    135.113
  18   34   33   C2   C3   C3    135.000
  24   37   43  Car  Car  Car    120.074
  23   38   44  Car  Car  Car    120.030
  25   39   45  Car  Car  Car    120.147
  26   40   46  Car  Car  Car    120.066
  27   41   46  Car  Car  Car    120.074
  28   42   45  Car  Car  Car    120.009
  30   43   37  Car  Car  Car    120.037
  29   44   38  Car  Car  Car    119.922
  39   45   42  Car  Car  Car    119.824
  40   46   41  Car  Car  Car    119.860


TORSION ANGLES
   5    2    7    6    179.974
   8    2    7    6      0.026
  10    4    1    6      0.026
  10    4    1    9    179.974
  24    4    1    6    179.974
  24    4    1    9      0.026
  11    5    2    7      0.026
  11    5    2    8    179.974
  23    5    2    7    179.974
  23    5    2    8      0.026
   7    6    1    4    179.974
   7    6    1    9      0.026
   2    7    6    1    179.974
   7    2    8   25      0.026
   7    2    8   28    179.974
   5    2    8   25    179.974
   5    2    8   28      0.026
   4    1    9   26    179.974
   4    1    9   27      0.026
   6    1    9   26      0.026
   6    1    9   27    179.974
  21   10    4    1      0.026
  21   10    4   24    179.974
  30   10    4    1    179.974
  30   10    4   24      0.026
  20   11    5    2      0.026
  20   11    5   23    179.974
  29   11    5    2    179.974
  29   11    5   23      0.026
  33   17   16   32      0.026
  19   18   34   33      0.026
  18   19   31   32      0.026
  35   20   11    5    179.974
  35   20   11   29      0.026
  36   21   10    4    179.974
  36   21   10   30      0.026
  38   23    5    2    179.974
  38   23    5   11      0.026
  37   24    4    1    179.974
  37   24    4   10      0.026
  39   25    8    2    179.974
  39   25    8   28      0.026
  40   26    9    1    179.974
  40   26    9   27      0.026
  41   27    9    1    179.974
  41   27    9   26      0.026
  42   28    8    2    179.974
  42   28    8   25      0.026
  44   29   11    5      0.026
  44   29   11   20    179.974
  43   30   10    4      0.026
  43   30   10   21    179.974
  19   31   32   16      0.026
  31   32   16   17      0.026
  34   33   17   16      0.026
  18   34   33   17      0.026
  43   37   24    4      0.026
  44   38   23    5      0.026
  45   39   25    8      0.026
  46   40   26    9      0.026
  46   41   27    9      0.026
  45   42   28    8      0.026
  30   43   37   24      0.026
  38   44   29   11      0.026
  39   45   42   28      0.026
  40   46   41   27      0.026
  41   46   40   26      0.026
  10   30   43   37      0.026
  42   45   39   25      0.026
  29   44   38   23      0.026
  31   19   18   34      0.026