data_2202596 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2003 _journal_volume 59 _journal_page_first o1980 _journal_page_last o1983 _publ_section_title ; Bis(4,4'-bipyridinium) bis(8-hydroxyquinoline-5-sulfonate) bipyridine pentahydrate ; loop_ _publ_author_name 'Savarimuthu Baskar Raj' 'Packianathan Thomas Muthiah' 'Gabriele Bocelli' 'Andrea Cantoni' _chemical_formula_moiety '2C10 H9 N2 1+, 2C9 H6 S O4 1-, C10 H8 N2, 5H2 O' _chemical_formula_sum 'C48 H48 N8 O13 S2' _chemical_formula_structural '(C9 H6 N O4 S-)2, (C10 H9 N2+)2, (C10 H8 N2), 5H2O' _chemical_formula_iupac '2C10 H9 N2 1+, 2C9 H6 S O4 1-, C10 H8 N2, 5H2 O' _chemical_formula_weight 1009.08 _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z _cell_length_a 9.449(3) _cell_length_b 14.330(2) _cell_length_c 19.449(3) _cell_angle_alpha 111.080(2) _cell_angle_beta 93.730(3) _cell_angle_gamma 104.770(2) _cell_volume 2339.9(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293 _exptl_crystal_density_diffrn 1.432 _diffrn_ambient_temperature 293 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_type_symbol S1 -0.08802(6) 0.55174(4) 0.14356(3) 0.0479(2) Uani . . 1.000 S O11 0.51174(17) 0.77037(13) 0.32962(8) 0.0583(5) Uani . . 1.000 O O12 -0.18944(17) 0.55922(15) 0.19616(10) 0.0692(6) Uani . . 1.000 O O13 -0.10310(19) 0.60925(14) 0.09731(10) 0.0668(6) Uani . . 1.000 O O14 -0.09299(18) 0.44474(13) 0.10130(10) 0.0673(6) Uani . . 1.000 O N11 0.49106(19) 0.67127(14) 0.18383(9) 0.0471(5) Uani . . 1.000 N C12 0.4823(3) 0.62341(19) 0.11101(12) 0.0530(7) Uani . . 1.000 C C13 0.3488(3) 0.57188(18) 0.06086(12) 0.0518(7) Uani . . 1.000 C C14 0.2186(2) 0.56787(16) 0.08697(11) 0.0453(6) Uani . . 1.000 C C15 0.0918(2) 0.61291(15) 0.19873(10) 0.0393(6) Uani . . 1.000 C C16 0.1077(2) 0.66059(17) 0.27491(11) 0.0447(6) Uani . . 1.000 C C17 0.2466(2) 0.71318(17) 0.32036(11) 0.0476(7) Uani . . 1.000 C C18 0.3734(2) 0.71873(16) 0.29016(11) 0.0441(6) Uani . . 1.000 C C19 0.3611(2) 0.66737(15) 0.21120(10) 0.0395(6) Uani . . 1.000 C C20 0.2210(2) 0.61566(15) 0.16469(10) 0.0386(6) Uani . . 1.000 C S2 0.98847(8) 0.31396(5) 0.51018(3) 0.0617(2) Uani . . 1.000 S O1 0.8201(2) 0.04259(13) 0.18642(8) 0.0615(6) Uani . . 1.000 O O2 0.87018(19) 0.35952(13) 0.52746(9) 0.0633(6) Uani . . 1.000 O O3 1.1290(2) 0.39217(18) 0.52050(11) 0.0933(7) Uani . . 1.000 O O4 0.9945(4) 0.2435(2) 0.54667(11) 0.1427(15) Uani . . 1.000 O N1 0.85851(19) 0.24540(14) 0.22730(9) 0.0463(6) Uani . . 1.000 N C2 0.8748(2) 0.34629(18) 0.24739(12) 0.0502(7) Uani . . 1.000 C C3 0.9136(2) 0.41810(17) 0.32126(12) 0.0501(7) Uani . . 1.000 C C4 0.9374(2) 0.38438(16) 0.37713(11) 0.0434(6) Uani . . 1.000 C C5 0.9426(2) 0.23357(16) 0.41305(10) 0.0424(6) Uani . . 1.000 C C6 0.9248(2) 0.12858(17) 0.38915(12) 0.0470(7) Uani . . 1.000 C C7 0.8848(2) 0.06166(16) 0.31279(11) 0.0461(7) Uani . . 1.000 C C8 0.8617(2) 0.10114(16) 0.26027(11) 0.0435(6) Uani . . 1.000 C C9 0.8809(2) 0.20997(15) 0.28247(10) 0.0388(5) Uani . . 1.000 C C10 0.92134(19) 0.27743(15) 0.35939(10) 0.0378(5) Uani . . 1.000 C N1B 0.2922(3) 0.84029(15) 0.13407(11) 0.0609(7) Uani . . 1.000 N N10B 0.4608(2) 1.12925(17) 0.52148(10) 0.0613(7) Uani . . 1.000 N C2B 0.1825(3) 0.8504(2) 0.17184(14) 0.0655(8) Uani . . 1.000 C C3B 0.2112(3) 0.9051(2) 0.24763(14) 0.0592(8) Uani . . 1.000 C C4B 0.3565(2) 0.94959(16) 0.28610(12) 0.0467(6) Uani . . 1.000 C C5B 0.4682(3) 0.93484(19) 0.24435(12) 0.0562(8) Uani . . 1.000 C C6B 0.4324(3) 0.8805(2) 0.16829(13) 0.0614(8) Uani . . 1.000 C C7B 0.3919(2) 1.00968(17) 0.36770(12) 0.0473(6) Uani . . 1.000 C C8B 0.2890(3) 0.9995(2) 0.41313(13) 0.0591(8) Uani . . 1.000 C C9B 0.3273(3) 1.0602(2) 0.48907(13) 0.0638(9) Uani . . 1.000 C C11B 0.5597(3) 1.1392(2) 0.47761(13) 0.0636(8) Uani . . 1.000 C C12B 0.5308(3) 1.0822(2) 0.40154(12) 0.0568(7) Uani . . 1.000 C N1C 0.2748(3) 0.27625(16) 0.01168(11) 0.0631(7) Uani . . 1.000 N N10C 0.4667(2) 0.56297(17) 0.39941(11) 0.0587(7) Uani . . 1.000 N C2C 0.1753(3) 0.3063(2) 0.05218(14) 0.0634(8) Uani . . 1.000 C C3C 0.2084(3) 0.36246(19) 0.12848(13) 0.0552(8) Uani . . 1.000 C C4C 0.3519(2) 0.39191(16) 0.16586(11) 0.0442(6) Uani . . 1.000 C C5C 0.4570(3) 0.3626(2) 0.12355(13) 0.0558(8) Uani . . 1.000 C C6C 0.4121(3) 0.3045(2) 0.04785(14) 0.0634(9) Uani . . 1.000 C C7C 0.3927(2) 0.45253(16) 0.24789(11) 0.0437(6) Uani . . 1.000 C C8C 0.2887(3) 0.4480(2) 0.29377(13) 0.0590(8) Uani . . 1.000 C C9C 0.3272(3) 0.5046(2) 0.36902(14) 0.0655(9) Uani . . 1.000 C C11C 0.5713(3) 0.5698(2) 0.35748(13) 0.0580(8) Uani . . 1.000 C C12C 0.5369(3) 0.51594(19) 0.28148(13) 0.0531(7) Uani . . 1.000 C N1A 0.2765(4) 0.0508(2) 0.05903(14) 0.0871(10) Uani . . 1.000 N N10A 0.4666(2) 0.33599(18) 0.44927(11) 0.0606(7) Uani . . 1.000 N C2A 0.1771(4) 0.0791(3) 0.09962(18) 0.0894(11) Uani . . 1.000 C C3A 0.2095(3) 0.1351(2) 0.17561(16) 0.0745(10) Uani . . 1.000 C C4A 0.3522(3) 0.16351(18) 0.21337(13) 0.0505(7) Uani . . 1.000 C C5A 0.4571(3) 0.1350(2) 0.17111(15) 0.0674(9) Uani . . 1.000 C C6A 0.4127(4) 0.0795(3) 0.09543(17) 0.0837(13) Uani . . 1.000 C C7A 0.3917(2) 0.22305(17) 0.29524(12) 0.0476(7) Uani . . 1.000 C C8A 0.2900(3) 0.2127(2) 0.34193(14) 0.0586(8) Uani . . 1.000 C C9A 0.3316(3) 0.2695(2) 0.41713(14) 0.0638(9) Uani . . 1.000 C C11A 0.5650(3) 0.3463(2) 0.40546(14) 0.0634(8) Uani . . 1.000 C C12A 0.5329(3) 0.2921(2) 0.32938(14) 0.0589(8) Uani . . 1.000 C O1W 0.0731(2) 0.10775(17) 0.60475(13) 0.0826(8) Uani . . 1.000 O O2W 0.8154(5) 0.1331(2) 0.06996(13) 0.1525(18) Uani . . 1.000 O O3W 0.7415(2) 0.25135(15) 0.00975(10) 0.0804(7) Uani . . 1.000 O O4W 0.8191(3) 0.85004(15) 0.14037(11) 0.0915(8) Uani . . 1.000 O O5W 0.78772(19) 0.76679(15) 0.24697(10) 0.0689(6) Uani . . 1.000 O H11' 0.50840 0.79170 0.37440 0.136(16) Uiso . R 1.000 H H12' 0.57040 0.62420 0.09220 0.055(6) Uiso . R 1.000 H H13 0.34880 0.54040 0.00990 0.072(8) Uiso . R 1.000 H H14 0.12860 0.53400 0.05400 0.059(7) Uiso . R 1.000 H H16 0.02310 0.65770 0.29700 0.048(6) Uiso . R 1.000 H H17 0.25310 0.74490 0.37190 0.048(6) Uiso . R 1.000 H H1 0.82400 -0.01690 0.17800 0.080(10) Uiso . R 1.000 H H2 0.85940 0.37080 0.21010 0.070(8) Uiso . R 1.000 H H3 0.92330 0.48850 0.33260 0.050(6) Uiso . R 1.000 H H4 0.96410 0.43190 0.42670 0.045(6) Uiso . R 1.000 H H6 0.93960 0.10050 0.42430 0.052(6) Uiso . R 1.000 H H7 0.87420 -0.00940 0.29820 0.040(5) Uiso . R 1.000 H H1B 0.27230 0.80700 0.08630 0.099(11) Uiso . R 1.000 H H2B 0.08470 0.82020 0.14670 0.071(8) Uiso . R 1.000 H H3B 0.13280 0.91240 0.27360 0.071(8) Uiso . R 1.000 H H5B 0.56720 0.96170 0.26780 0.080(9) Uiso . R 1.000 H H6B 0.50780 0.87180 0.14040 0.071(8) Uiso . R 1.000 H H8B 0.19440 0.95230 0.39310 0.078(8) Uiso . R 1.000 H H9B 0.25610 1.05250 0.51910 0.072(8) Uiso . R 1.000 H H11B 0.65340 1.18700 0.49910 0.071(8) Uiso . R 1.000 H H12B 0.60390 1.09200 0.37290 0.065(7) Uiso . R 1.000 H H2C 0.07840 0.28870 0.02800 0.074(8) Uiso . R 1.000 H H3C 0.13410 0.38040 0.15480 0.070(8) Uiso . R 1.000 H H5C 0.55580 0.38170 0.14570 0.068(8) Uiso . R 1.000 H H6C 0.48330 0.28370 0.02020 0.070(8) Uiso . R 1.000 H H8C 0.19130 0.40600 0.27340 0.080(9) Uiso . R 1.000 H H9C 0.25530 0.50240 0.39930 0.076(8) Uiso . R 1.000 H H10C 0.48960 0.59690 0.44720 0.097(11) Uiso . R 1.000 H H11C 0.66820 0.61130 0.37980 0.062(7) Uiso . R 1.000 H H12C 0.61010 0.52170 0.25230 0.053(6) Uiso . R 1.000 H H2A 0.07970 0.06030 0.07560 0.103(11) Uiso . R 1.000 H H3A 0.13520 0.15390 0.20150 0.103(11) Uiso . R 1.000 H H5A 0.55560 0.15280 0.19340 0.091(10) Uiso . R 1.000 H H6A 0.48490 0.06080 0.06770 0.094(10) Uiso . R 1.000 H H8A 0.19410 0.16730 0.32230 0.072(8) Uiso . R 1.000 H H9A 0.26170 0.26130 0.44770 0.055(6) Uiso . R 1.000 H H11A 0.65990 0.39230 0.42700 0.071(8) Uiso . R 1.000 H H12A 0.60580 0.30140 0.30040 0.053(6) Uiso . R 1.000 H H11 0.11830 0.15120 0.65030 0.128(15) Uiso . R 1.000 H H12 0.05290 0.14840 0.58640 0.118(15) Uiso . R 1.000 H H21 0.74520 0.11210 0.08870 0.14(2) Uiso . R 1.000 H H22 0.82000 0.07400 0.04810 0.105(13) Uiso . R 1.000 H H31 0.77450 0.22240 0.03750 0.067(9) Uiso . R 1.000 H H32 0.79870 0.31370 0.03490 0.128(15) Uiso . R 1.000 H H41 0.78270 0.80780 0.09660 0.115(13) Uiso . R 1.000 H H42 0.80860 0.81520 0.16760 0.108(13) Uiso . R 1.000 H H51 0.67750 0.74120 0.23740 0.134(14) Uiso . R 1.000 H H52 0.79810 0.70560 0.22650 0.123(15) Uiso . R 1.000 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 0.0457(3) 0.0487(3) 0.0407(3) 0.0064(2) 0.0023(2) 0.0138(2) O11 0.0525(9) 0.0732(11) 0.0329(8) 0.0125(8) -0.0008(6) 0.0079(7) O12 0.0464(9) 0.0888(13) 0.0598(10) 0.0061(8) 0.0132(8) 0.0235(10) O13 0.0669(10) 0.0766(12) 0.0588(10) 0.0160(9) -0.0065(8) 0.0351(9) O14 0.0624(10) 0.0485(9) 0.0661(11) 0.0041(8) -0.0042(8) 0.0050(8) N11 0.0491(10) 0.0514(10) 0.0362(8) 0.0130(8) 0.0085(7) 0.0130(8) C12 0.0543(13) 0.0622(14) 0.0405(11) 0.0184(11) 0.0161(10) 0.0159(10) C13 0.0644(14) 0.0574(13) 0.0300(9) 0.0160(11) 0.0117(9) 0.0140(9) C14 0.0542(12) 0.0466(11) 0.0294(9) 0.0082(9) 0.0029(9) 0.0138(8) C15 0.0442(10) 0.0382(10) 0.0317(9) 0.0062(8) 0.0041(8) 0.0139(8) C16 0.0505(11) 0.0492(11) 0.0333(9) 0.0117(9) 0.0123(9) 0.0163(9) C17 0.0596(13) 0.0515(12) 0.0275(9) 0.0141(10) 0.0076(9) 0.0122(9) C18 0.0511(12) 0.0463(11) 0.0296(9) 0.0117(9) 0.0015(8) 0.0116(8) C19 0.0462(11) 0.0409(10) 0.0310(9) 0.0119(8) 0.0063(8) 0.0144(8) C20 0.0488(11) 0.0383(10) 0.0284(8) 0.0106(8) 0.0056(8) 0.0144(8) S2 0.0902(5) 0.0671(4) 0.0268(2) 0.0378(3) 0.0012(3) 0.0088(2) O1 0.0917(12) 0.0462(9) 0.0324(7) 0.0162(8) -0.0008(8) 0.0043(6) O2 0.0745(11) 0.0647(10) 0.0433(8) 0.0223(9) 0.0252(8) 0.0092(8) O3 0.0579(11) 0.1089(16) 0.0611(11) 0.0289(11) -0.0159(9) -0.0242(11) O4 0.312(4) 0.1128(18) 0.0348(9) 0.126(2) 0.0058(16) 0.0259(11) N1 0.0522(10) 0.0525(11) 0.0330(8) 0.0124(8) 0.0061(7) 0.0176(8) C2 0.0554(13) 0.0560(13) 0.0417(11) 0.0121(10) 0.0104(10) 0.0247(10) C3 0.0568(13) 0.0431(12) 0.0476(12) 0.0085(9) 0.0123(10) 0.0185(10) C4 0.0456(11) 0.0429(11) 0.0345(10) 0.0074(9) 0.0099(8) 0.0103(8) C5 0.0437(10) 0.0499(12) 0.0297(9) 0.0134(9) 0.0040(8) 0.0120(8) C6 0.0536(12) 0.0522(12) 0.0367(10) 0.0163(10) 0.0059(9) 0.0189(9) C7 0.0507(12) 0.0403(11) 0.0409(11) 0.0102(9) 0.0063(9) 0.0111(9) C8 0.0453(11) 0.0448(11) 0.0309(9) 0.0076(9) 0.0050(8) 0.0083(8) C9 0.0364(9) 0.0450(11) 0.0293(8) 0.0065(8) 0.0045(7) 0.0122(8) C10 0.0334(9) 0.0420(10) 0.0318(9) 0.0059(8) 0.0052(7) 0.0112(8) N1B 0.0820(15) 0.0482(11) 0.0407(10) 0.0110(10) -0.0042(10) 0.0122(9) N10B 0.0658(12) 0.0696(13) 0.0365(9) 0.0125(10) 0.0029(9) 0.0135(9) C2B 0.0655(16) 0.0625(15) 0.0497(13) 0.0115(12) -0.0139(12) 0.0099(12) C3B 0.0541(13) 0.0619(15) 0.0494(13) 0.0120(11) -0.0009(11) 0.0132(11) C4B 0.0524(12) 0.0420(11) 0.0391(10) 0.0064(9) -0.0002(9) 0.0151(9) C5B 0.0527(13) 0.0591(14) 0.0430(12) 0.0039(10) 0.0017(10) 0.0141(10) C6B 0.0736(16) 0.0565(14) 0.0433(12) 0.0087(12) 0.0106(12) 0.0144(11) C7B 0.0486(11) 0.0492(12) 0.0388(10) 0.0086(9) 0.0010(9) 0.0162(9) C8B 0.0558(14) 0.0630(15) 0.0429(11) -0.0003(11) 0.0046(10) 0.0159(11) C9B 0.0631(15) 0.0747(17) 0.0452(12) 0.0099(13) 0.0136(11) 0.0204(12) C11B 0.0561(14) 0.0697(16) 0.0423(12) 0.0022(12) -0.0045(11) 0.0095(11) C12B 0.0483(12) 0.0688(15) 0.0387(11) 0.0072(11) 0.0034(10) 0.0121(11) N1C 0.0845(15) 0.0568(12) 0.0421(10) 0.0202(11) 0.0071(11) 0.0138(9) N10C 0.0616(12) 0.0696(13) 0.0377(10) 0.0184(10) 0.0049(9) 0.0141(9) C2C 0.0655(15) 0.0658(16) 0.0476(13) 0.0161(12) -0.0028(12) 0.0138(12) C3C 0.0549(13) 0.0603(14) 0.0472(12) 0.0179(11) 0.0066(10) 0.0171(11) C4C 0.0527(12) 0.0428(11) 0.0385(10) 0.0131(9) 0.0085(9) 0.0180(9) C5C 0.0537(13) 0.0680(15) 0.0442(12) 0.0185(11) 0.0106(10) 0.0196(11) C6C 0.0778(17) 0.0694(16) 0.0449(12) 0.0279(14) 0.0201(13) 0.0188(12) C7C 0.0475(11) 0.0470(11) 0.0400(10) 0.0161(9) 0.0079(9) 0.0194(9) C8C 0.0452(12) 0.0741(16) 0.0443(12) 0.0125(11) 0.0089(10) 0.0114(11) C9C 0.0533(14) 0.0862(19) 0.0470(13) 0.0180(13) 0.0148(11) 0.0155(13) C11C 0.0515(13) 0.0678(15) 0.0468(12) 0.0075(11) 0.0030(10) 0.0213(11) C12C 0.0503(12) 0.0647(14) 0.0434(11) 0.0092(10) 0.0102(10) 0.0250(11) N1A 0.124(2) 0.0760(17) 0.0513(13) 0.0254(16) 0.0017(15) 0.0188(12) N10A 0.0553(11) 0.0761(14) 0.0452(10) 0.0197(10) 0.0112(9) 0.0173(10) C2A 0.091(2) 0.100(2) 0.0603(18) 0.0239(19) -0.0157(17) 0.0202(17) C3A 0.0708(17) 0.087(2) 0.0579(15) 0.0222(15) 0.0017(14) 0.0221(15) C4A 0.0573(13) 0.0492(12) 0.0444(11) 0.0118(10) 0.0052(10) 0.0211(10) C5A 0.0708(17) 0.0709(17) 0.0528(14) 0.0175(13) 0.0135(13) 0.0174(13) C6A 0.113(3) 0.082(2) 0.0510(15) 0.0334(19) 0.0226(17) 0.0157(14) C7A 0.0482(11) 0.0515(12) 0.0446(11) 0.0143(9) 0.0080(9) 0.0207(10) C8A 0.0457(12) 0.0684(15) 0.0544(13) 0.0088(11) 0.0108(10) 0.0210(12) C9A 0.0493(13) 0.0856(18) 0.0524(13) 0.0174(12) 0.0181(11) 0.0225(13) C11A 0.0491(13) 0.0781(17) 0.0505(13) 0.0099(12) 0.0072(11) 0.0174(12) C12A 0.0496(13) 0.0727(16) 0.0522(13) 0.0120(11) 0.0144(11) 0.0251(12) O1W 0.0901(14) 0.0730(13) 0.0819(15) 0.0155(11) -0.0042(12) 0.0363(12) O2W 0.306(5) 0.102(2) 0.0443(12) 0.070(3) 0.007(2) 0.0203(14) O3W 0.1048(15) 0.0585(11) 0.0523(10) 0.0120(11) -0.0120(10) 0.0054(9) O4W 0.158(2) 0.0514(10) 0.0476(10) 0.0223(12) 0.0087(12) 0.0071(9) O5W 0.0570(10) 0.0710(12) 0.0697(11) 0.0176(9) 0.0058(9) 0.0191(10) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag S1 O12 . . 1.4413(19) yes S1 O13 . . 1.444(2) yes S1 O14 . . 1.442(2) yes S1 C15 . . 1.770(2) no S2 O2 . . 1.432(2) yes S2 O3 . . 1.451(2) yes S2 O4 . . 1.437(3) yes S2 C5 . . 1.777(2) no O11 C18 . . 1.346(3) no O11 H11' . . 0.8185 no O1 C8 . . 1.346(2) no O1 H1 . . 0.8193 no N11 C12 . . 1.319(3) no N11 C19 . . 1.366(3) no O1W H12 . . 0.8370 no O1W H11 . . 0.8794 no N1 C2 . . 1.319(3) no N1 C9 . . 1.368(3) no O2W H22 . . 0.8137 no O2W H21 . . 0.8197 no N1B C6B . . 1.323(4) no N1B C2B . . 1.317(4) no N10B C9B . . 1.334(4) no N10B C11B . . 1.321(3) no N1B H1B . . 0.8596 no O3W H31 . . 0.8751 no O3W H32 . . 0.8571 no N1C C2C . . 1.322(4) no N1C C6C . . 1.323(4) no N10C C9C . . 1.329(4) no N10C C11C . . 1.328(3) no O4W H42 . . 0.8434 no O4W H41 . . 0.8333 no N10C H10C . . 0.8615 no N1A C6A . . 1.315(5) no N1A C2A . . 1.315(5) no N10A C11A . . 1.318(4) no N10A C9A . . 1.332(4) no O5W H51 . . 0.9923 no O5W H52 . . 0.8572 no C12 C13 . . 1.391(4) no C13 C14 . . 1.357(3) no C14 C20 . . 1.413(3) no C15 C16 . . 1.369(3) no C15 C20 . . 1.425(3) no C16 C17 . . 1.392(3) no C17 C18 . . 1.365(3) no C18 C19 . . 1.426(3) no C19 C20 . . 1.408(3) no C12 H12' . . 0.9299 no C13 H13 . . 0.9296 no C14 H14 . . 0.9299 no C16 H16 . . 0.9305 no C17 H17 . . 0.9302 no C2 C3 . . 1.390(3) no C3 C4 . . 1.366(3) no C4 C10 . . 1.409(3) no C5 C6 . . 1.366(3) no C5 C10 . . 1.426(3) no C6 C7 . . 1.409(3) no C7 C8 . . 1.364(3) no C8 C9 . . 1.419(3) no C9 C10 . . 1.420(3) no C2 H2 . . 0.9306 no C3 H3 . . 0.9300 no C4 H4 . . 0.9302 no C6 H6 . . 0.9290 no C7 H7 . . 0.9295 no C2B C3B . . 1.367(4) no C3B C4B . . 1.389(4) no C4B C7B . . 1.474(3) no C4B C5B . . 1.386(3) no C5B C6B . . 1.372(3) no C7B C12B . . 1.391(4) no C7B C8B . . 1.371(3) no C8B C9B . . 1.384(3) no C11B C12B . . 1.377(3) no C2B H2B . . 0.9303 no C3B H3B . . 0.9301 no C5B H5B . . 0.9305 no C6B H6B . . 0.9297 no C8B H8B . . 0.9301 no C9B H9B . . 0.9303 no C11B H11B . . 0.9298 no C12B H12B . . 0.9295 no C2C C3C . . 1.378(3) no C3C C4C . . 1.380(3) no C4C C5C . . 1.382(3) no C4C C7C . . 1.484(3) no C5C C6C . . 1.378(3) no C7C C12C . . 1.391(4) no C7C C8C . . 1.375(3) no C8C C9C . . 1.363(3) no C11C C12C . . 1.369(3) no C2C H2C . . 0.9295 no C3C H3C . . 0.9301 no C5C H5C . . 0.9298 no C6C H6C . . 0.9299 no C8C H8C . . 0.9300 no C9C H9C . . 0.9294 no C11C H11C . . 0.9303 no C12C H12C . . 0.9290 no C2A C3A . . 1.373(4) no C3A C4A . . 1.378(4) no C4A C7A . . 1.478(3) no C4A C5A . . 1.377(4) no C5A C6A . . 1.372(4) no C7A C8A . . 1.381(4) no C7A C12A . . 1.392(4) no C8A C9A . . 1.364(4) no C11A C12A . . 1.371(4) no C2A H2A . . 0.9300 no C3A H3A . . 0.9294 no C5A H5A . . 0.9307 no C6A H6A . . 0.9302 no C8A H8A . . 0.9305 no C9A H9A . . 0.9302 no C11A H11A . . 0.9302 no C12A H12A . . 0.9315 no