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(R)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL
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ID: BP-10465
CAS:76189-55-4 Supplier:BroadPharm SMILES:c1(c2c(P(c3ccccc3)c3ccccc3)ccc3c2cccc3)c(P(c2ccccc2)c2ccccc2)ccc2c1cccc2 FORMULA: C44H32P2
MASS: 622.6724
EXACT MASS: 622.1979243
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 P 5 P 6
------------------------------------------------------------------
C 1 0.0000
C 2 0.9500 0.0000
C 3 0.9762 1.6679 0.0000
C 4 1.6533 0.9511 2.5435 0.0000
P 5 1.8395 2.2198 0.9741 3.1688 0.0000
P 6 2.2102 1.8214 3.1827 0.9805 3.9511 0.0000
C 7 0.9511 1.6533 1.6625 1.9250 2.6293 2.0341
C 8 1.6679 0.9762 1.9250 1.6625 2.0192 2.6369
C 9 1.6895 2.5565 0.9750 3.3427 1.4806 3.8165
C 10 2.5470 1.6751 3.3427 0.9750 3.8017 1.4765
C 11 2.7018 3.1797 1.7409 4.1252 0.9667 4.8748
C 12 2.6314 2.7347 1.9015 3.6631 0.9686 4.5516
C 13 3.1717 2.6896 4.1402 1.7553 4.8765 0.9669
C 14 2.7870 2.6561 3.7469 1.9291 4.6178 0.9766
C 15 1.6751 2.5470 1.9273 2.9000 2.8559 2.9281
C 16 2.5565 1.6895 2.9000 1.9273 2.9136 2.8587
C 17 1.9500 2.9000 1.6895 3.4846 2.4228 3.7091
C 18 2.9000 1.9500 3.4915 1.6751 3.7083 2.3990
C 19 1.6667 1.9184 2.5594 1.6700 3.4914 1.3056
C 20 1.9329 1.6833 1.6637 2.5471 1.2936 3.4884
C 21 3.0059 3.6936 2.0536 4.5947 1.6822 5.2123
C 22 3.5212 3.8313 2.6108 4.7797 1.6827 5.6114
C 23 3.4977 3.6936 2.6509 4.6293 1.6807 5.5027
C 24 2.8226 2.5901 2.3790 3.4132 1.6662 4.3738
C 25 3.6957 3.0045 4.6151 2.0742 5.2188 1.6846
C 26 3.8182 3.5035 4.7927 2.6203 5.6114 1.6827
C 27 3.7294 3.4927 4.6975 2.6507 5.5460 1.6809
C 28 2.7020 2.8985 3.5665 2.4339 4.5143 1.6746
C 29 2.5652 3.3448 2.9072 3.4925 3.8309 3.2522
C 30 3.3531 2.5760 3.4895 2.8964 3.2399 3.8218
C 31 2.5594 2.8947 3.3583 2.5654 4.3234 1.9289
C 32 2.9127 2.5798 2.5599 3.3500 1.9174 4.3230
C 33 3.9749 4.6547 3.0229 5.5622 2.5663 6.1796
C 34 4.3758 4.7630 3.4246 5.7139 2.5663 6.5174
C 35 4.3155 4.3648 3.5402 5.2608 2.5681 6.1856
C 36 3.7792 3.4713 3.3306 4.2221 2.5463 5.1993
C 37 4.6536 3.9707 5.5798 3.0406 6.1829 2.5682
C 38 4.7552 4.3628 5.7314 3.4381 6.5208 2.5697
C 39 4.4350 4.3376 5.3723 3.5579 6.2741 2.5774
C 40 3.6089 3.8693 4.4129 3.3930 5.3792 2.5667
C 41 2.9072 3.4832 3.4970 3.3594 4.4649 2.8561
C 42 3.4983 2.9252 3.3552 3.4890 2.8440 4.4617
C 43 4.5755 5.1263 3.5993 6.0674 2.9182 6.7793
C 44 4.4316 4.2706 3.8163 5.0842 2.9027 6.0506
C 45 5.1184 4.5640 6.0817 3.6129 6.7793 2.9182
C 46 4.3793 4.4873 5.2451 3.8526 6.1952 2.9127
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 2.5435 0.0000
C 9 1.9273 2.9000 0.0000
C 10 2.9000 1.9273 4.2166 0.0000
C 11 3.3649 2.9539 1.7245 4.7675 0.0000
C 12 3.5065 2.1768 2.4237 4.1006 1.1932 0.0000
C 13 2.9678 3.3785 4.7822 1.7344 5.8139 5.4172
C 14 2.2727 3.5490 4.1950 2.4120 5.4854 5.3211
C 15 0.9750 3.3427 1.6625 3.8750 3.3564 3.8150
C 16 3.3427 0.9750 3.8750 1.6625 3.7997 2.8522
C 17 1.6751 3.4915 0.9762 4.4383 2.6807 3.3825
C 18 3.4846 1.6895 4.4437 0.9511 4.6405 3.7777
C 19 0.9799 2.8947 2.9072 2.5579 4.2941 4.2956
C 20 2.8838 0.9691 2.5537 2.8964 2.1212 1.2143
C 21 3.4315 3.6815 1.5219 5.3542 0.9712 2.1598
C 22 4.2691 3.3818 2.7026 5.2927 0.9782 1.2242
C 23 4.3099 3.1437 2.8997 5.0699 1.2259 0.9728
C 24 3.7684 1.7632 3.1271 3.6312 2.1430 0.9551
C 25 3.6995 3.4518 5.3740 1.5416 6.1823 5.6088
C 26 3.3962 4.2781 5.3068 2.7072 6.5153 6.2342
C 27 3.2390 4.3130 5.1623 2.8459 6.4313 6.2072
C 28 1.9219 3.8665 3.7971 3.1433 5.2855 5.3328
C 29 1.6916 4.2176 2.5594 4.4445 4.2808 4.7927
C 30 4.2101 1.6853 4.4422 2.5471 3.9904 2.8753
C 31 1.6958 3.8709 3.4970 3.3594 5.0473 5.1811
C 32 3.8637 1.6875 3.3552 3.4890 2.4418 1.2575
C 33 4.3647 4.5853 2.4382 6.3076 1.6806 2.8203
C 34 5.0476 4.3472 3.3051 6.2536 1.6859 2.1893
C 35 5.1778 3.6605 3.8628 5.5626 2.1939 1.6846
C 36 4.7275 2.5630 4.0264 4.2851 2.8000 1.6589
C 37 4.6022 4.3817 6.3251 2.4552 7.1471 6.5506
C 38 4.3671 5.0595 6.2729 3.3129 7.4406 7.0958
C 39 3.7936 5.2086 5.7067 3.8221 7.1124 7.0019
C 40 2.7507 4.8395 4.5059 4.0421 6.0920 6.2350
C 41 1.9561 4.4371 3.3583 4.2298 5.0417 5.3947
C 42 4.4309 1.9489 4.2265 3.3500 3.4168 2.2311
C 43 5.0975 4.8768 3.2091 6.7175 1.9515 2.8401
C 44 5.3561 3.4241 4.3393 5.2190 2.8268 1.9341
C 45 4.8917 5.1098 6.7322 3.2205 7.7300 7.2424
C 46 3.5919 5.4270 5.4180 4.3189 6.9562 7.0074
C 13 C 14 C 15 C 16 C 17 C 18
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C 13 0.0000
C 14 1.1243 0.0000
C 15 3.8126 2.9537 0.0000
C 16 3.3677 3.8329 4.2166 0.0000
C 17 4.6386 3.8581 0.9511 4.4437 0.0000
C 18 2.6622 3.3537 4.4383 0.9762 4.8500 0.0000
C 19 2.1289 1.3029 1.6916 3.4832 2.5652 3.3448
C 20 4.2960 4.3387 3.4742 1.6853 3.3531 2.5760
C 21 6.1764 5.6798 3.1422 4.5946 2.2875 5.3624
C 22 6.5174 6.3000 4.3258 4.0748 3.6571 5.0014
C 23 6.3812 6.2424 4.4672 3.7625 3.8725 4.7107
C 24 5.1416 5.2454 4.2802 2.1551 4.0257 3.1273
C 25 0.9744 2.0971 4.6116 3.1606 5.3684 2.2750
C 26 0.9730 1.1382 4.0897 4.3319 4.9962 3.6333
C 27 1.1383 0.9674 3.8825 4.4355 4.8035 3.7873
C 28 2.0772 0.9553 2.3220 4.3482 3.2706 4.0392
C 29 3.9985 2.9690 0.9799 5.0343 1.6667 5.1284
C 30 4.2790 4.7975 5.0281 0.9691 5.1338 1.6833
C 31 2.4501 1.3450 1.9561 4.4371 2.9072 4.2176
C 32 5.0524 5.2207 4.4309 1.9489 4.2300 2.9252
C 33 7.1445 6.6266 3.9822 5.4656 3.0682 6.2740
C 34 7.4387 7.1626 4.9673 5.0356 4.1879 5.9670
C 35 7.0123 6.9883 5.4035 4.0823 4.8375 5.0581
C 36 5.9000 6.1068 5.2410 2.6656 4.9518 3.6225
C 37 1.6846 2.7443 5.4820 3.9978 6.2770 3.0547
C 38 1.6847 2.1096 5.0568 4.9753 5.9676 4.1646
C 39 2.1174 1.6850 4.2540 5.3925 5.2038 4.7660
C 40 2.7328 1.6711 2.8974 5.3147 3.8316 4.9622
C 41 3.4251 2.3168 1.6958 5.1277 2.5594 5.0343
C 42 5.0451 5.4177 5.1223 1.6875 5.0447 2.5798
C 43 7.7311 7.3181 4.8299 5.6653 3.9523 6.5500
C 44 6.7957 6.9262 5.7405 3.6213 5.3076 4.5844
C 45 1.9513 2.7542 5.6803 4.8404 6.5475 3.9329
C 46 2.7440 1.9361 3.8400 5.7674 4.7819 5.2685
C 19 C 20 C 21 C 22 C 23 C 24
------------------------------------------------------------------
C 19 0.0000
C 20 3.4821 0.0000
C 21 4.4089 2.9623 0.0000
C 22 5.1636 2.4315 1.6859 0.0000
C 23 5.1611 2.1761 2.0672 0.4602 0.0000
C 24 4.3996 0.9193 3.1016 2.0525 1.6701 0.0000
C 25 2.9753 4.4181 6.6679 6.7793 6.5813 5.1724
C 26 2.4371 5.1613 6.7723 7.2820 7.1834 6.0334
C 27 2.2651 5.1675 6.6458 7.2244 7.1454 6.0547
C 28 1.0385 4.5083 5.3181 6.1771 6.1896 5.4273
C 29 1.9500 4.4309 3.9542 5.2572 5.4221 5.2531
C 30 4.4309 1.9500 4.8875 4.0308 3.6446 1.9790
C 31 0.9762 4.4352 5.0179 5.9630 6.0041 5.3486
C 32 4.4392 0.9799 3.3964 2.3471 1.9532 0.3041
C 33 5.3445 3.7966 0.9698 1.9404 2.3968 3.7726
C 34 5.9799 3.3983 1.9456 0.9669 1.3020 2.9716
C 35 5.9802 2.7167 2.9872 1.3017 0.9699 1.9399
C 36 5.3286 1.8539 3.7680 2.3754 1.9187 0.9642
C 37 3.8083 5.3507 7.6331 7.7311 7.5218 6.0731
C 38 3.4096 5.9807 7.7289 8.1785 8.0563 6.8226
C 39 2.8264 6.0209 7.2219 7.9563 7.9152 6.9241
C 40 1.9780 5.4601 6.0193 7.0147 7.0599 6.3773
C 41 1.6895 4.8399 4.8247 6.0038 6.1180 5.7208
C 42 4.8436 1.6916 4.3694 3.2675 2.8440 1.2760
C 43 6.0683 3.9837 1.6908 1.6846 2.1182 3.7280
C 44 6.0519 2.5925 3.7285 2.1026 1.6699 1.6809
C 45 3.9917 6.0692 8.1242 8.3872 8.2147 6.8463
C 46 2.7127 6.1411 6.9379 7.8559 7.8703 7.0596
C 25 C 26 C 27 C 28 C 29 C 30
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C 25 0.0000
C 26 1.6802 0.0000
C 27 1.9453 0.3153 0.0000
C 28 3.0465 1.9328 1.6661 0.0000
C 29 4.9004 4.0402 3.7810 2.1153 0.0000
C 30 3.9583 5.2502 5.3710 5.3140 5.8945 0.0000
C 31 3.4083 2.3587 2.0927 0.4267 1.6895 5.3926
C 32 5.0295 5.9635 6.0003 5.4557 5.3958 1.6916
C 33 7.6359 7.7277 7.5937 6.2236 4.7093 5.6666
C 34 7.7311 8.1753 8.1022 6.9692 5.8438 4.9464
C 35 7.1013 7.8658 7.8560 7.0172 6.3672 3.7300
C 36 5.8137 6.8251 6.8722 6.3472 6.2154 2.1236
C 37 0.9669 1.9394 2.2534 3.6898 5.6788 4.7111
C 38 1.9353 0.9726 1.1857 2.8472 4.9624 5.8377
C 39 2.8643 1.1891 0.9802 1.9341 3.9241 6.3365
C 40 3.6956 2.2420 1.9276 0.9746 2.3601 6.2821
C 41 4.3814 3.2795 2.9936 1.3712 0.9762 6.0528
C 42 4.8342 6.0022 6.0890 5.8070 6.0557 0.9799
C 43 8.1305 8.3872 8.2790 6.9992 5.6134 5.7003
C 44 6.7549 7.7022 7.7309 7.0859 6.7199 3.0822
C 45 1.6827 1.6846 1.9759 3.6137 5.7102 5.6101
C 46 3.6168 1.9641 1.6746 1.6809 3.3237 6.7331
C 31 C 32 C 33 C 34 C 35 C 36
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C 31 0.0000
C 32 5.4005 0.0000
C 33 5.9040 4.0763 0.0000
C 34 6.7230 3.2549 1.6831 0.0000
C 35 6.8606 2.1356 3.1491 1.6451 0.0000
C 36 6.2870 0.8924 4.2816 3.1287 1.6688 0.0000
C 37 4.0892 5.9124 8.6015 8.6863 8.0102 6.6633
C 38 3.2730 6.7258 8.6876 9.0871 8.6969 7.5624
C 39 2.3078 6.8899 8.1419 8.7969 8.6721 7.7714
C 40 1.0561 6.4156 6.8790 7.7620 7.9155 7.3058
C 41 0.9750 5.8198 5.6271 6.6629 7.0325 6.6817
C 42 5.8198 0.9750 5.0462 4.1296 2.7977 1.1544
C 43 6.7060 4.0262 0.9770 0.9744 2.6145 4.0230
C 44 6.9850 1.7438 4.0293 2.6024 0.9636 0.9671
C 45 4.0380 6.7095 9.0930 9.3261 8.7684 7.4963
C 46 1.9221 7.0664 7.8143 8.6367 8.6920 7.9584
C 37 C 38 C 39 C 40 C 41 C 42
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C 37 0.0000
C 38 1.6742 0.0000
C 39 2.9778 1.4484 0.0000
C 40 4.1666 2.9622 1.6643 0.0000
C 41 5.0591 4.1488 3.0051 1.3943 0.0000
C 42 5.6337 6.6627 7.0300 6.7813 6.3621 0.0000
C 43 9.0962 9.3303 8.8910 7.7101 6.5049 4.9520
C 44 7.6173 8.4696 8.6048 8.0251 7.2840 2.1048
C 45 0.9730 0.9663 2.4127 3.8655 4.9640 6.5066
C 46 3.8666 2.4006 0.9551 0.9651 2.3535 7.3311
C 43 C 44 C 45 C 46
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C 43 0.0000
C 44 3.5652 0.0000
C 45 9.6612 8.4373 0.0000
C 46 8.6270 8.7305 3.3618 0.0000
ATOMIC CHARGES
C 1 0.0004976833
C 2 0.0004976833
C 3 0.0020772323
C 4 0.0020772323
P 5 -0.0094692008
P 6 -0.0094692008
C 7 0.0000393186
C 8 0.0000393186
C 9 0.0004976994
C 10 0.0004976994
C 11 0.0020772323
C 12 0.0020772323
C 13 0.0020772323
C 14 0.0020772323
C 15 0.0000025497
C 16 0.0000025497
C 17 0.0000405853
C 18 0.0000405853
C 19 0.0000012829
C 20 0.0000012829
C 21 0.0004976994
C 22 0.0004976994
C 23 0.0004976994
C 24 0.0004976994
C 25 0.0004976994
C 26 0.0004976994
C 27 0.0004976994
C 28 0.0004976994
C 29 0.0000000324
C 30 0.0000000324
C 31 0.0000000162
C 32 0.0000000162
C 33 0.0000405855
C 34 0.0000405855
C 35 0.0000405855
C 36 0.0000405855
C 37 0.0000405855
C 38 0.0000405855
C 39 0.0000405855
C 40 0.0000405855
C 41 0.0000000002
C 42 0.0000000002
C 43 0.0000025980
C 44 0.0000025980
C 45 0.0000025980
C 46 0.0000025980
BOND ANGLES
17 9 3 Car Car Car 119.958
9 3 1 Car Car Car 119.958
18 10 4 Car Car Car 120.834
10 4 2 Car Car Car 120.834
41 29 15 Car Car Car 120.206
29 15 7 Car Car Car 119.836
42 30 16 Car Car Car 119.961
30 16 8 Car Car Car 120.203
43 33 21 Car Car Car 120.565
33 21 11 Car Car Car 119.946
44 35 23 Car Car Car 119.466
35 23 12 Car Car Car 120.256
45 37 25 Car Car Car 120.330
37 25 13 Car Car Car 120.403
46 39 27 Car Car Car 119.831
39 27 14 Car Car Car 119.803
3 9 17 Car Car Car 119.958
9 17 15 Car Car Car 119.208
15 29 41 Car Car Car 120.206
29 41 31 Car Car Car 119.958
4 10 18 Car Car Car 120.834
10 18 16 Car Car Car 119.208
16 30 42 Car Car Car 119.961
30 42 32 Car Car Car 119.836
23 35 44 Car Car Car 119.466
35 44 36 Car Car Car 119.621
21 33 43 Car Car Car 120.565
33 43 34 Car Car Car 119.198
27 39 46 Car Car Car 119.831
39 46 40 Car Car Car 120.157
25 37 45 Car Car Car 120.330
37 45 38 Car Car Car 119.377
TORSION ANGLES
4 2 1 3 179.974
4 2 1 7 0.026
8 2 1 3 0.026
8 2 1 7 179.974
5 3 1 2 0.026
5 3 1 7 179.974
9 3 1 2 179.974
9 3 1 7 0.026
6 4 2 1 0.026
6 4 2 8 179.974
10 4 2 1 179.974
10 4 2 8 0.026
11 5 3 1 179.974
11 5 3 9 0.026
12 5 3 1 0.026
12 5 3 9 179.974
13 6 4 2 179.974
13 6 4 10 0.026
14 6 4 2 0.026
14 6 4 10 179.974
15 7 1 2 179.974
15 7 1 3 0.026
19 7 1 2 0.026
19 7 1 3 179.974
16 8 2 1 179.974
16 8 2 4 0.026
20 8 2 1 0.026
20 8 2 4 179.974
17 9 3 1 0.026
17 9 3 5 179.974
18 10 4 2 0.026
18 10 4 6 179.974
21 11 5 3 0.026
21 11 5 12 179.974
22 11 5 3 179.974
22 11 5 12 0.026
23 12 5 3 179.974
23 12 5 11 0.026
24 12 5 3 0.026
24 12 5 11 179.974
25 13 6 4 0.026
25 13 6 14 179.974
26 13 6 4 179.974
26 13 6 14 0.026
27 14 6 4 179.974
27 14 6 13 0.026
28 14 6 4 0.026
28 14 6 13 179.974
17 15 7 1 0.026
17 15 7 19 179.974
29 15 7 1 179.974
29 15 7 19 0.026
18 16 8 2 0.026
18 16 8 20 179.974
30 16 8 2 179.974
30 16 8 20 0.026
9 17 15 7 0.026
9 17 15 29 179.974
10 18 16 8 0.026
10 18 16 30 179.974
31 19 7 1 179.974
31 19 7 15 0.026
32 20 8 2 179.974
32 20 8 16 0.026
33 21 11 5 179.974
33 21 11 22 0.026
34 22 11 5 179.974
34 22 11 21 0.026
35 23 12 5 179.974
35 23 12 24 0.026
36 24 12 5 179.974
36 24 12 23 0.026
37 25 13 6 179.974
37 25 13 26 0.026
38 26 13 6 179.974
38 26 13 25 0.026
39 27 14 6 179.974
39 27 14 28 0.026
40 28 14 6 179.974
40 28 14 27 0.026
41 29 15 7 0.026
41 29 15 17 179.974
42 30 16 8 0.026
42 30 16 18 179.974
41 31 19 7 0.026
42 32 20 8 0.026
43 33 21 11 0.026
43 34 22 11 0.026
44 35 23 12 0.026
44 36 24 12 0.026
45 37 25 13 0.026
45 38 26 13 0.026
46 39 27 14 0.026
46 40 28 14 0.026
29 41 31 19 0.026
30 42 32 20 0.026
33 43 34 22 0.026
35 44 36 24 0.026
37 45 38 26 0.026
39 46 40 28 0.026
3 9 17 15 0.026
15 29 41 31 0.026
4 10 18 16 0.026
16 30 42 32 0.026
23 35 44 36 0.026
21 33 43 34 0.026
27 39 46 40 0.026
25 37 45 38 0.026
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