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(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-[3,5-dimethylphenyl]-1H-pyrrole-2,5-dione(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
(-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-[3,5-dimethylphenyl]-1H-pyrrole-2,5-dione(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
ID: BP-12250
Supplier:BroadPharm

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SMILES:C1(=C(C(=O)N(C1=O)c1cc(cc(c1)C)C)P1[C@@H](CC[C@H]1C)C)P1[C@@H](CC[C@H]1C)C.[B-](F)(F)(F)F.C1=CCCC=CCC1.[Rh+]	
FORMULA: C32H45BF4NO2P2Rh
MASS: 727.3628
EXACT MASS: 727.2009752
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      P   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2833     0.0000 
   N   3    2.0464     2.0516     0.0000 
   C   4    1.3087     2.0866     1.2354     0.0000 
   C   5    2.0733     1.3038     1.2354     2.0416     0.0000 
   P   6    1.2142     2.3692     3.1191     2.0633     3.2875     0.0000 
   P   7    2.3255     1.1778     3.1042     3.2642     2.0552     3.1792 
   C   8    3.2417     3.2450     1.2333     2.1826     2.1826     4.2247 
   B   9    8.0916     8.0770    10.0047     9.3755     9.3537     7.5247 
   O  10    3.2737     2.2612     2.2110     3.2378     1.2387     4.4821 
   O  11    2.2698     3.2845     2.2069     1.2347     3.2337     2.4536 
   C  12    2.2457     3.0302     4.2827     3.3266     4.1972     1.2959 
   C  13    2.2115     3.4860     3.6213     2.3918     4.1519     1.2820 
   C  14    3.4705     2.1969     3.6292     4.1567     2.4000     4.4423 
   C  15    2.9962     2.2263     4.2718     4.1790     3.3216     3.4332 
   C  16    4.1541     3.8174     2.1293     3.2844     2.5461     5.2481 
   C  17    3.8210     4.1677     2.1375     2.5464     3.2949     4.5563 
   C  18    5.0648     5.3313     3.2797     3.7962     4.3340     5.7996 
   C  19    5.3206     5.0621     3.2743     4.3260     3.7960     6.3575 
   C  20    3.2769     4.4720     4.9091     3.6919     5.3226     2.1029 
   C  21    4.4509     3.2611     4.9197     5.3248     3.7043     5.2340 
   C  22    4.2053     3.2401     5.1883     5.3015     4.0791     4.7242 
   C  23    3.2813     4.2460     5.2196     4.1108     5.3307     2.1041 
   F  24    7.1842     7.3177     9.1596     8.4378     8.6163     6.5110 
   F  25    8.9340     9.0417    10.9047    10.1870    10.3354     8.2490 
   F  26    9.0799     8.9398    10.9243    10.3803    10.1833     8.6051 
   F  27    7.3648     7.1914     9.1829     8.6701     8.4334     6.9567 
   C  28    6.3258     6.4347     8.2881     7.5907     7.7328     5.6974 
   C  29    5.6186     5.9369     7.6424     6.8245     7.2382     4.8367 
   C  30    6.6777     6.3830     8.4073     7.9860     7.5907     6.4033 
   C  31    5.7124     5.5625     7.5379     7.0184     6.8217     5.3403 
   C  32    5.7287     5.7268     3.7458     4.5613     4.5538     6.6222 
  Rh  33    1.4684     1.5150     3.2920     2.7729     2.8064     1.6760 
   C  34    2.8212     3.1183     4.8148     4.0851     4.4115     2.2871 
   C  35    3.1059     2.8208     4.8131     4.4067     4.0862     3.0874 
   C  36    3.9076     2.6624     3.4021     4.2428     2.2254     5.0314 
   C  37    2.7161     3.9593     3.4184     2.2472     4.2683     2.2369 
   C  38    5.0953     5.1423     7.0232     6.3807     6.4378     4.5736 
   C  39    5.3642     5.0953     7.1072     6.6724     6.3255     5.1208 
   C  40    4.4372     4.3630     6.2972     5.7411     5.6469     4.0700 
   C  41    4.3661     4.6680     6.3794     5.5959     5.9681     3.6583 
   C  42    5.8826     6.3393     4.3165     4.5750     5.4569     6.4329 
   C  43    6.3116     5.8627     4.2947     5.4332     4.5598     7.4135 

              P   7      C   8      B   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   P   7    0.0000 
   C   8    4.2137     0.0000 
   B   9    7.4761    11.2379     0.0000 
   O  10    2.4618     2.6701     9.9352     0.0000 
   O  11    4.4538     2.6666     9.9782     4.3792     0.0000 
   C  12    3.4332     5.4458     6.2694     5.2863     3.7252     0.0000 
   C  13    4.4143     4.4985     8.2665     5.3891     2.0781     2.0905 
   C  14    1.3059     4.5082     8.1862     2.0887     5.3898     4.7359 
   C  15    1.2959     5.4373     6.2110     3.7305     5.2624     3.1792 
   C  16    4.5549     1.2213    11.8925     2.4250     3.8853     6.3992 
   C  17    5.2417     1.2357    11.9119     3.9027     2.4153     5.8453 
   C  18    6.3522     2.1520    13.1564     4.7061     3.5708     7.0910 
   C  19    5.7984     2.1438    13.1389     3.5774     4.6917     7.5541 
   C  20    5.2172     5.8183     7.6246     6.5438     3.3574     2.0939 
   C  21    2.1255     5.8343     7.4923     3.3791     6.5409     5.2221 
   C  22    2.0901     6.2610     6.2581     4.1172     6.4443     4.4298 
   C  23    4.7191     6.2927     6.3270     6.4757     4.1486     1.2873 
   F  24    6.8588    10.3893     1.2170     9.3129     8.9543     5.2292 
   F  25    8.5261    12.1354     1.2170    10.9875    10.6852     6.9614 
   F  26    8.2249    12.1530     1.2493    10.6553    11.0545     7.3799 
   F  27    6.4805    10.4098     1.2493     8.9186     9.3919     5.7747 
   C  28    5.9799     9.5192     1.8454     8.4317     8.1489     4.4313 
   C  29    5.6887     8.8571     2.9248     8.0723     7.2569     3.5420 
   C  30    5.5963     9.6231     2.2333     8.0084     8.7936     5.3083 
   C  31    4.9180     8.7671     2.5593     7.3761     7.7606     4.2037 
   C  32    6.6072     2.5126    13.7503     4.5861     4.6000     7.8851 
  Rh  33    1.7342     4.5252     6.7141     3.7425     3.6860     1.7000 
   C  34    3.0752     6.0383     5.2951     5.3167     4.7224     1.2202 
   C  35    2.2804     6.0369     5.2681     4.7277     5.3077     2.4063 
   C  36    2.2140     3.9966     9.3640     1.3319     5.4539     5.5591 
   C  37    5.0415     4.0002     9.4735     5.4817     1.3360     3.2678 
   C  38    4.6866     8.2561     2.9963     7.1347     7.0225     3.3665 
   C  39    4.3713     8.3277     3.1478     6.8165     7.4912     4.0790 
   C  40    3.8475     7.5296     3.7161     6.3025     6.4809     2.9784 
   C  41    4.4714     7.5985     3.8878     6.8217     6.1061     2.3851 
   C  42    7.4207     3.3083    13.9232     5.9326     4.0251     7.7247 
   C  43    6.4247     3.2829    13.8796     4.0171     5.9025     8.5573 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.6416     0.0000 
   C  15    4.7131     2.0975     0.0000 
   C  16    5.6566     4.4951     5.8442     0.0000 
   C  17    4.4771     5.6771     6.3940     2.1250     0.0000 
   C  18    5.6488     6.6427     7.5497     2.4654     1.2500     0.0000 
   C  19    6.6229     5.6659     7.0901     1.2500     2.4654     2.1250 
   C  20    1.3209     6.5068     5.2136     6.9693     5.7712     6.9165 
   C  21    6.4979     1.3282     2.0960     5.8012     6.9942     7.9708 
   C  22    6.0051     2.0791     1.2940     6.4554     7.3241     8.4105 
   C  23    2.1208     6.0227     4.4159     7.3467     6.4824     7.6934 
   F  24    7.1653     7.7192     5.6563    11.1258    10.9840    12.2335 
   F  25    8.8549     9.3064     7.2877    12.8558    12.7333    13.9830 
   F  26    9.4148     8.7883     6.9329    12.7294    12.8952    14.1305 
   F  27    7.8467     7.0859     5.1912    10.9794    11.1712    12.4019 
   C  28    6.4213     6.8630     4.7890    10.2446    10.1352    11.3836 
   C  29    5.4203     6.7326     4.6383     9.6812     9.3651    10.6143 
   C  30    7.3987     6.1297     4.3005    10.1311    10.4443    11.6597 
   C  31    6.2924     5.6516     3.6522     9.3664     9.5183    10.7497 
   C  32    6.6522     6.6494     7.8725     2.1611     2.1856     1.2648 
  Rh  33    2.9568     3.0388     1.7574     5.2580     5.2429     6.4734 
   C  34    3.2887     4.2915     2.3905     6.8400     6.6283     7.8764 
   C  35    4.2886     3.2874     1.2076     6.6280     6.8410     8.0563 
   C  36    6.1171     1.1780     3.2389     3.6996     5.2254     6.0340 
   C  37    1.2072     6.1542     5.5760     5.2165     3.6798     4.7500 
   C  38    5.4351     5.6075     3.5185     8.9562     8.9156    10.1601 
   C  39    6.1618     5.0389     3.0861     8.8710     9.1336    10.3520 
   C  40    5.0669     4.7551     2.6662     8.1801     8.2501     9.4859 
   C  41    4.3918     5.5751     3.5070     8.4103     8.1417     9.3917 
   C  42    6.0397     7.8151     8.5648     3.7311     2.1789     1.2657 
   C  43    7.7805     6.0471     7.7164     2.1654     3.7160     3.2686 

              C  19      C  20      C  21      C  22      C  23      F  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    7.9437     0.0000 
   C  21    6.9476     7.1834     0.0000 
   C  22    7.6659     6.4898     1.2585     0.0000 
   C  23    8.4345     1.3109     6.4849     5.6292     0.0000 
   F  24   12.3610     6.4568     7.2041     5.9458     5.1720     0.0000 
   F  25   14.0946     8.0637     8.6669     7.4229     6.8113     1.7500 
   F  26   13.9793     8.8295     7.9430     6.7652     7.5248     2.4661 
   F  27   12.2294     7.3910     6.3146     5.1011     6.0810     1.7375 
   C  28   11.4812     5.8089     6.3997     5.1422     4.5034     0.8842 
   C  29   10.8942     4.7039     6.4963     5.2742     3.4150     1.7574 
   C  30   11.3800     7.1016     5.3212     4.1189     5.8129     2.4120 
   C  31   10.6155     5.9667     5.0622     3.8057     4.6772     2.1499 
   C  32    1.2221     7.9532     7.9604     8.5754     8.6180    12.8976 
  Rh  33    6.4857     3.5545     3.6300     3.0484     2.9851     5.8793 
   C  34    8.0554     3.2517     4.4852     3.5108     2.1742     4.3630 
   C  35    7.8762     4.4997     3.2334     2.1794     3.5076     4.5855 
   C  36    4.7740     7.1341     2.2380     3.2192     6.8264     8.8847 
   C  37    6.0194     2.2358     7.1665     6.8431     3.2833     8.3713 
   C  38   10.1958     5.0269     5.2420     3.9990     3.7270     2.1831 
   C  39   10.1210     5.9747     4.4123     3.1577     4.7242     2.8049 
   C  40    9.4250     4.8627     4.4225     3.1942     3.6217     3.0113 
   C  41    9.6255     3.8998     5.4806     4.3175     2.5944     2.8542 
   C  42    3.2826     7.2146     9.1396     9.5022     8.1513    12.9407 
   C  43    1.2507     9.0993     7.2417     8.1153     9.5113    13.1736 

              F  25      F  26      F  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   F  25    0.0000 
   F  26    1.7375     0.0000 
   F  27    2.4661     1.7500     0.0000 
   C  28    2.6169     3.0214     1.7499     0.0000 
   C  29    3.4385     4.1476     2.9099     1.1733     0.0000 
   C  30    3.4473     2.6590     1.0018     2.0416     3.0308     0.0000 
   C  31    3.6548     3.3864     1.6531     1.4218     2.0917     1.1356 
   C  32   14.6449    14.6575    12.9119    12.0293    11.3462    12.1089 
  Rh  33    7.6197     7.6581     5.9290     5.0030     4.4365     5.2161 
   C  34    6.1129     6.3368     4.6715     3.5072     2.8413     4.1309 
   C  35    6.2736     6.1211     4.3746     3.7040     3.4485     3.6038 
   C  36   10.4818     9.9595     8.2619     8.0235     7.8466     7.3019 
   C  37   10.0562    10.6189     9.0395     7.6282     6.6242     8.5643 
   C  38    3.8997     4.0321     2.4116     1.2992     1.3378     2.1000 
   C  39    4.2789     3.8599     2.1113     2.0601     2.5758     1.3137 
   C  40    4.6970     4.6451     2.9297     2.1332     2.0804     2.3386 
   C  41    4.5979     5.0230     3.4982     2.0466     1.2719     3.2378 
   C  42   14.6814    14.9499    13.2446    12.1148    11.2661    12.5541 
   C  43   14.8861    14.6491    12.9052    12.2896    11.7848    12.0124 

              C  31      C  32     Rh  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32   11.2730     0.0000 
  Rh  33    4.2765     7.0378     0.0000 
   C  34    3.0542     8.5409     1.6052     0.0000 
   C  35    2.7417     8.5373     1.6381     1.3459     0.0000 
   C  36    6.8274     5.8514     3.8760     5.2892     4.3996     0.0000 
   C  37    7.4690     5.8579     3.8426     4.4364     5.3241     6.4209 
   C  38    0.9763    10.7685     3.7316     2.3090     2.4077     6.7574 
   C  39    0.6550    10.8215     3.9025     2.8744     2.2963     6.2166 
   C  40    1.2821    10.0405     3.0158     1.7923     1.5777     5.9051 
   C  41    2.1076    10.0945     3.1649     1.5704     2.2994     6.6579 
   C  42   11.5933     2.1834     7.3382     8.6292     8.9598     7.2640 
   C  43   11.3293     2.1209     7.3485     8.9467     8.6181     5.0049 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    6.6287     0.0000 
   C  39    7.3078     1.2834     0.0000 
   C  40    6.2266     0.8525     1.1136     0.0000 
   C  41    5.5965     1.1390     2.2783     1.3167     0.0000 
   C  42    4.9804    10.9363    11.2406    10.3151    10.0865     0.0000 
   C  43    7.2361    10.9928    10.7955    10.1907    10.5129     4.3042 

              C  43
              -----------
   C  43    0.0000 



ATOMIC CHARGES
   C   1    0.0000000000
   C   2    0.0000000000
   N   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   P   6    0.0000000000
   P   7    0.0000000000
   C   8    0.0000000000
   B   9    0.0000000000
   O  10    0.0000000000
   O  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   C  22    0.0000000000
   C  23    0.0000000000
   F  24    0.0000000000
   F  25    0.0000000000
   F  26    0.0000000000
   F  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
  Rh  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


BOND ANGLES
   2    1    4   C2   C2   C2    107.223
   2    1    6   C2   C2    P    143.095
   4    1    6   C2   C2    P    109.681
   1    2    5   C2   C2   C2    106.522
   1    2    7   C2   C2    P    141.754
   5    2    7   C2   C2    P    111.723
   4    3    8   C2  Nam  Car    124.283
   4    3    5   C2  Nam   C2    111.434
   5    3    8   C2  Nam  Car    124.283
   1    4    3   C2   C2  Nam    107.060
   3    4   11  Nam   C2   O2    126.608
   1    4   11   C2   C2   O2    126.332
   2    5   10   C2   C2   O2    125.567
   2    5    3   C2   C2  Nam    107.761
   3    5   10  Nam   C2   O2    126.672
   1    6   12   C2    P   C3    126.905
   1    6   13   C2    P   C3    124.721
  12    6   13   C3    P   C3    108.374
   2    7   14   C2    P   C3    124.304
   2    7   15   C2    P   C3    128.246
  14    7   15   C3    P   C3    107.450
   3    8   16  Nam  Car  Car    120.327
   3    8   17  Nam  Car  Car    119.939
  16    8   17  Car  Car  Car    119.734
  24    9   25    F   B3    F     91.944
  24    9   26    F   B3    F    178.486
  24    9   27    F   B3    F     89.569
  25    9   26    F   B3    F     89.569
  25    9   27    F   B3    F    178.486
  26    9   27    F   B3    F     88.917
   6   12   23    P   C3   C3    109.080
   6   12   34    P   C3   C3    130.706
  23   12   34   C3   C3   C3    120.214
   6   13   20    P   C3   C3    107.776
   6   13   37    P   C3   C3    127.936
  20   13   37   C3   C3   C3    124.288
   7   14   21    P   C3   C3    107.586
   7   14   36    P   C3   C3    126.012
  21   14   36   C3   C3   C3    126.401
   7   15   22    P   C3   C3    107.616
   7   15   35    P   C3   C3    131.223
  22   15   35   C3   C3   C3    121.161
   8   16   19  Car  Car  Car    120.327
   8   17   18  Car  Car  Car    119.939
  17   18   32  Car  Car  Car    120.703
  17   18   42  Car  Car   C3    120.023
  32   18   42  Car  Car   C3    119.274
  16   19   43  Car  Car   C3    119.982
  16   19   32  Car  Car  Car    121.901
  32   19   43  Car  Car   C3    118.117
  13   20   23   C3   C3   C3    107.381
  14   21   22   C3   C3   C3    106.954
  15   22   21   C3   C3   C3    110.394
  12   23   20   C3   C3   C3    107.390
  29   28   38   C2   C2   C3     65.282
  28   29   41   C2   C2   C3    113.585
  31   30   39   C2   C2   C3     29.908
  30   31   40   C2   C2   C3    150.554
  18   32   19  Car  Car  Car    117.396
  28   38   39   C2   C3   C3    105.816
  30   39   38   C2   C3   C3    107.915
  31   40   41   C2   C3   C3    108.377
  29   41   40   C2   C3   C3    106.949


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
   7    2    1    4    179.974
   7    2    1    6      0.026
   8    3    4    1    179.974
   8    3    4   11      0.026
   5    3    4    1      0.026
   5    3    4   11    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
  11    4    1    2    179.974
  11    4    1    6      0.026
  10    5    2    1    179.974
  10    5    2    7      0.026
   3    5    2    1      0.026
   3    5    2    7    179.974
  12    6    1    2      0.026
  12    6    1    4    179.974
  13    6    1    2    179.974
  13    6    1    4      0.026
  14    7    2    1    179.974
  14    7    2    5      0.026
  15    7    2    1      0.026
  15    7    2    5    179.974
  16    8    3    4    179.974
  16    8    3    5      0.026
  17    8    3    4      0.026
  17    8    3    5    179.974
  23   12    6    1    179.974
  23   12    6   13      0.026
  34   12    6    1      0.026
  34   12    6   13    179.974
  20   13    6    1    179.974
  20   13    6   12      0.026
  37   13    6    1      0.026
  37   13    6   12    179.974
  21   14    7    2    179.974
  21   14    7   15      0.026
  36   14    7    2      0.026
  36   14    7   15    179.974
  22   15    7    2    179.974
  22   15    7   14      0.026
  35   15    7    2      0.026
  35   15    7   14    179.974
  19   16    8    3    179.974
  19   16    8   17      0.026
  18   17    8    3    179.974
  18   17    8   16      0.026
  32   18   17    8      0.026
  42   18   17    8    179.974
  43   19   16    8    179.974
  32   19   16    8      0.026
  23   20   13    6      0.026
  23   20   13   37    179.974
  22   21   14    7      0.026
  22   21   14   36    179.974
  21   22   15    7      0.026
  21   22   15   35    179.974
  20   23   12    6      0.026
  20   23   12   34    179.974
  41   29   28   38      0.026
  31   30   39   38      0.026
  40   31   30   39      0.026
  19   32   18   17      0.026
  19   32   18   42    179.974
  39   38   28   29    179.974
  30   39   38   28      0.026
  31   40   41   29      0.026
  40   41   29   28      0.026
   2    5    3    4      0.026
   2    5    3    8    179.974
  10    5    3    4    179.974
  10    5    3    8      0.026
  12   23   20   13      0.026
  14   21   22   15      0.026
  16   19   32   18      0.026
  43   19   32   18    179.974
  41   40   31   30    179.974


CHIRAL ATOMS
  41   40   31   30    179.974
  41   40   31   30    179.974
  41   40   31   30    179.974
  41   40   31   30    179.974
  41   40   31   30    179.974
  41   40   31   30    179.974