#YOMTAV 23960103 61 9 0 44 0 2 7 73 73 0176132100010030000000000095 13367 16909 15560 90 10589 90333020 3 2 2 0 1 0 0128 14P21/c 240 R=0.0752 The toluene solvate molecule is disordered. 211 0121 0112 0011 0121 6110 6 C 68H 23B 83N 68O 68P 105V 131 V1 10 12500 10640 P1 -16830 70 -3920 O1 50 7370 19230 O2 -11160 6660 1620 O3 10950 6450 6540 O4 -24190 -3260 1630 O5 -24160 3150 -12950 B1 80 31920 9340 N1 -20 20740 -1340 N2 -10 28820 -70 C1 120 19660 -9900 C2 260 27050 -13800 C3 190 32660 -7590 C4 -50 11760 -14400 C5 260 41530 -8270 N3 11140 20790 17680 N4 9930 28830 16260 C6 19930 19730 24230 C7 24300 27230 26960 C8 17860 32650 21750 C9 23880 11920 27810 C10 18960 41510 22110 N5 -11010 20720 12390 N6 -9700 28830 11550 C11 -19740 19800 14880 C12 -24210 27090 15540 C13 -17820 32700 13270 C14 -23640 11750 16940 C15 -18640 41510 12870 C16 -31260 -9450 -760 C17 -28720 -16350 -3550 C18 -35570 -22670 -5650 C19 -45100 -21450 -5520 C20 -47880 -14960 -930 C21 -40510 -8350 950 C22 -30780 9540 -14340 C23 -40380 8410 -19710 C24 -47280 14810 -22010 C25 -44460 22100 -18470 C26 -34520 23340 -12890 C27 -27840 16780 -10810 H1 190 37660 9940 H2 540 28110 -19790 H3 -150 7640 -10180 H4 -6140 11360 -19380 H5 6050 11220 -16470 H6 220 43790 -2620 H7 6370 43250 -9850 H8 -5820 43210 -12770 H9 30500 28420 31600 H10 19300 7890 24610 H11 30720 11120 27110 H12 24150 11670 34030 H13 13300 43830 17650 H14 18880 43400 27910 H15 25420 42950 20960 H16 -30480 28270 17150 H17 -19010 7700 16020 H18 -23960 11600 23030 H19 -30460 10880 13020 H20 -12850 43650 11100 H21 -25000 43010 8590 H22 -18580 43540 18650 H23 -21770 -17110 -4020 H24 -33310 -27750 -7150 H25 -50360 -25070 -8680 H26 -54210 -14900 860 H27 -42140 -3480 3420 H28 -42540 3240 -22010 H29 -54010 14070 -26160 H30 -49380 26370 -19760 H31 -32290 28510 -10600 H32 -21030 17460 -6780 O3B -10950 -6450 -6540 P1B 16830 -70 3920 V1B -10 -12500 -10640 O2B 11160 -6660 -1620 O4B 24190 3260 -1630 O5B 24160 -3150 12950 O1B -50 -7370 -19230 N1B 20 -20740 1340 N3B -11140 -20790 -17680 N5B 11010 -20720 -12390 C16B 31260 9450 760 C22B 30780 -9540 14340 N2B 10 -28820 70 C1B -120 -19660 9900 N4B -9930 -28830 -16260 C6B -19930 -19730 -24230 N6B 9700 -28830 -11550 C11B 19740 -19800 -14880 C17B 28720 16350 3550 C21B 40510 8350 -950 C23B 40380 -8410 19710 C27B 27840 -16780 10810 B1B -80 -31920 -9340 C3B -190 -32660 7590 C2B -260 -27050 13800 C4B 50 -11760 14400 C8B -17860 -32650 -21750 C7B -24300 -27230 -26960 C9B -23880 -11920 -27810 C13B 17820 -32700 -13270 C12B 24210 -27090 -15540 C14B 23640 -11750 -16940 C18B 35570 22670 5650 H23B 21770 17110 4020 C20B 47880 14960 930 H27B 42140 3480 -3420 C24B 47280 -14810 22010 H28B 42540 -3240 22010 C26B 34520 -23340 12890 H32B 21030 -17460 6780 H1B -190 -37660 -9940 C5B -260 -41530 8270 H2B -540 -28110 19790 H3B 150 -7640 10180 H4B 6140 -11360 19380 H5B -6050 -11220 16470 C10B -18960 -41510 -22110 H9B -30500 -28420 -31600 H10B -19300 -7890 -24610 H11B -30720 -11120 -27110 H12B -24150 -11670 -34030 C15B 18640 -41510 -12870 H16B 30480 -28270 -17150 H17B 19010 -7700 -16020 H18B 23960 -11600 -23030 H19B 30460 -10880 -13020 C19B 45100 21450 5520 H24B 33310 27750 7150 H26B 54210 14900 -860 C25B 44460 -22100 18470 H29B 54010 -14070 26160 H31B 32290 -28510 10600 H6B -220 -43790 2620 H7B -6370 -43250 9850 H8B 5820 -43210 12770 H13B -13300 -43830 -17650 H14B -18880 -43400 -27910 H15B -25420 -42950 -20960 H20B 12850 -43650 -11100 H21B 25000 -43010 -8590 H22B 18580 -43540 -18650 H25B 50360 25070 8680 H30B 49380 -26370 19760 3 4 0 1 1 2 2 10 1 9 9 11 10 11 13 1 8 16 18 17 18 20 1 8 23 25 24 25 27 6 30 31 32 33 30 7 36 37 38 39 36 8 12 14 14 14 15 15 15 19 21 21 21 22 22 22 26 28 28 28 29 29 29 31 32 33 34 35 37 38 39 40 41 2 5 74 75 75 75 76 76 76 76 78 79 81 81 82 82 83 83 84 84 85 85 86 86 87 87 88 89 89 90 91 91 92 92 93 93 94 94 95 95 96 97 98 99 99 99100101102102102103104105105105106 106108110110112115115115120120120125125125130133 12 13 16 17 19 20 23 24 26 27 34 35 40 41 76 77 88 96 90 96 97 98100101103104108130112133