#------------------------------------------------------------------------------ #$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/7/10/02/7100289.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7100289 loop_ _publ_author_name 'Mitsuo Kira' 'Takashi Abe' 'Takeaki Iwamoto' 'Chizuko Kabuto' _publ_section_title ; A Missing Group-14 Element Trimetallaallene. 2-Germadisilaallene ; _journal_name_full 'Chemical Communications' _journal_paper_doi 10.1039/b509878e _journal_year 2005 _chemical_formula_moiety 'C32 H80 Ge Si10 ' _chemical_formula_sum 'C32 H80 Ge Si10' _chemical_formula_weight 818.45 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.594(6) _cell_angle_beta 87.201(7) _cell_angle_gamma 72.174(6) _cell_formula_units_Z 2 _cell_length_a 11.787(3) _cell_length_b 12.318(2) _cell_length_c 18.634(4) _cell_measurement_temperature 223(2) _cell_volume 2468.9(9) _diffrn_ambient_temperature 223(2) _exptl_crystal_density_diffrn 1.101 _[local]_cod_chemical_formula_sum_orig 'C32 H80 Ge Si10 ' _cod_database_code 7100289 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ge1A Ge 0.35212(5) 0.29671(6) 0.75345(4) 0.0451(2) Uani 0.6211(15) 1 d PU . . Ge1B Ge 0.3184(2) 0.2180(2) 0.77695(12) 0.0488(7) Uani 0.1680(13) 1 d PU . . Ge1C Ge 0.2292(7) 0.2645(7) 0.7346(4) 0.0447(11) Uani 0.0467(9) 1 d PU . . Ge1D Ge 0.2713(2) 0.3463(2) 0.71196(13) 0.0465(7) Uani 0.1641(12) 1 d PU . . Si1 Si 0.19477(8) 0.37296(8) 0.81465(5) 0.0410(2) Uani 1 1 d U . . Si2 Si 0.38205(8) 0.18941(8) 0.67203(5) 0.0382(2) Uani 1 1 d U . . Si3 Si 0.15066(9) 0.64324(9) 0.74593(6) 0.0515(3) Uani 1 1 d . . . Si4 Si 0.33035(12) 0.51517(12) 0.88436(8) 0.0715(4) Uani 1 1 d . . . Si5 Si -0.05939(9) 0.33249(10) 0.85013(6) 0.0565(3) Uani 1 1 d . . . Si6 Si 0.16713(10) 0.16203(9) 0.94975(6) 0.0555(3) Uani 1 1 d . . . Si7 Si 0.65635(9) 0.14643(9) 0.69908(6) 0.0523(3) Uani 1 1 d . . . Si8 Si 0.55675(9) -0.07099(8) 0.74018(6) 0.0495(3) Uani 1 1 d . . . Si9 Si 0.32701(8) 0.35234(9) 0.50068(5) 0.0442(2) Uani 1 1 d . . . Si10 Si 0.17963(8) 0.17806(9) 0.57602(6) 0.0469(2) Uani 1 1 d . . . C1 C 0.1921(3) 0.5156(3) 0.83563(19) 0.0426(7) Uani 1 1 d . . . C2 C 0.0842(4) 0.5307(3) 0.8885(2) 0.0593(10) Uani 1 1 d . . . H1 H 0.0935 0.5774 0.9212 0.071 Uiso 1 1 calc R . . H2 H 0.0100 0.5741 0.8582 0.071 Uiso 1 1 calc R . . C3 C 0.0761(4) 0.4095(3) 0.9366(2) 0.0594(10) Uani 1 1 d . . . H3 H -0.0019 0.4203 0.9593 0.071 Uiso 1 1 calc R . . H4 H 0.1376 0.3767 0.9770 0.071 Uiso 1 1 calc R . . C4 C 0.0927(3) 0.3198(3) 0.88908(18) 0.0417(7) Uani 1 1 d . . . C5 C 0.5383(3) 0.0841(3) 0.67464(18) 0.0377(7) Uani 1 1 d . . . C6 C 0.5505(3) 0.0794(3) 0.59124(18) 0.0408(7) Uani 1 1 d . . . H5 H 0.5858 0.1402 0.5628 0.049 Uiso 1 1 calc R . . H6 H 0.6040 0.0016 0.5897 0.049 Uiso 1 1 calc R . . C7 C 0.4285(3) 0.1003(3) 0.55473(18) 0.0402(7) Uani 1 1 d . . . H7 H 0.4048 0.0279 0.5725 0.048 Uiso 1 1 calc R . . H8 H 0.4351 0.1174 0.5003 0.048 Uiso 1 1 calc R . . C8 C 0.3304(3) 0.2061(3) 0.57360(17) 0.0357(7) Uani 1 1 d . . . C9 C 0.0405(4) 0.6267(4) 0.6838(2) 0.0697(12) Uani 1 1 d . . . H9 H 0.0299 0.6879 0.6364 0.105 Uiso 1 1 calc R . . H10 H -0.0353 0.6345 0.7078 0.105 Uiso 1 1 calc R . . H11 H 0.0699 0.5491 0.6751 0.105 Uiso 1 1 calc R . . C10 C 0.0758(5) 0.7872(4) 0.7678(3) 0.0864(15) Uani 1 1 d . . . H12 H 0.1339 0.8105 0.7901 0.130 Uiso 1 1 calc R . . H13 H 0.0132 0.7776 0.8025 0.130 Uiso 1 1 calc R . . H14 H 0.0414 0.8481 0.7220 0.130 Uiso 1 1 calc R . . C11 C 0.2816(4) 0.6560(5) 0.6879(3) 0.0776(13) Uani 1 1 d . . . H15 H 0.2555 0.7199 0.6421 0.116 Uiso 1 1 calc R . . H16 H 0.3191 0.5818 0.6758 0.116 Uiso 1 1 calc R . . H17 H 0.3385 0.6729 0.7157 0.116 Uiso 1 1 calc R . . C12 C 0.3244(5) 0.6681(5) 0.8850(3) 0.0901(16) Uani 1 1 d . . . H18 H 0.3924 0.6640 0.9140 0.135 Uiso 1 1 calc R . . H19 H 0.2513 0.7037 0.9072 0.135 Uiso 1 1 calc R . . H20 H 0.3263 0.7162 0.8340 0.135 Uiso 1 1 calc R . . C13 C 0.4723(4) 0.4535(6) 0.8426(5) 0.140(3) Uani 1 1 d . . . H21 H 0.5358 0.4727 0.8626 0.210 Uiso 1 1 calc R . . H22 H 0.4649 0.4874 0.7887 0.210 Uiso 1 1 calc R . . H23 H 0.4909 0.3678 0.8545 0.210 Uiso 1 1 calc R . . C14 C 0.3405(7) 0.4336(6) 0.9861(3) 0.152(3) Uani 1 1 d . . . H24 H 0.3645 0.3488 0.9921 0.229 Uiso 1 1 calc R . . H25 H 0.2634 0.4577 1.0076 0.229 Uiso 1 1 calc R . . H26 H 0.3991 0.4521 1.0116 0.229 Uiso 1 1 calc R . . C15 C -0.1605(4) 0.4886(5) 0.8208(4) 0.124(3) Uani 1 1 d . . . H27 H -0.1289 0.5342 0.7778 0.187 Uiso 1 1 calc R . . H28 H -0.1660 0.5239 0.8617 0.187 Uiso 1 1 calc R . . H29 H -0.2392 0.4889 0.8076 0.187 Uiso 1 1 calc R . . C16 C -0.0460(5) 0.2749(7) 0.7676(3) 0.115(2) Uani 1 1 d . . . H30 H 0.0044 0.1929 0.7809 0.173 Uiso 1 1 calc R . . H31 H -0.0108 0.3223 0.7275 0.173 Uiso 1 1 calc R . . H32 H -0.1244 0.2794 0.7510 0.173 Uiso 1 1 calc R . . C17 C -0.1461(4) 0.2546(4) 0.9217(2) 0.0691(12) Uani 1 1 d . . . H33 H -0.2254 0.2706 0.9011 0.104 Uiso 1 1 calc R . . H34 H -0.1520 0.2830 0.9657 0.104 Uiso 1 1 calc R . . H35 H -0.1058 0.1697 0.9355 0.104 Uiso 1 1 calc R . . C18 C 0.0966(5) 0.1383(5) 1.0433(2) 0.0871(15) Uani 1 1 d . . . H36 H 0.1321 0.0570 1.0732 0.131 Uiso 1 1 calc R . . H37 H 0.0116 0.1535 1.0360 0.131 Uiso 1 1 calc R . . H38 H 0.1096 0.1922 1.0689 0.131 Uiso 1 1 calc R . . C19 C 0.1564(5) 0.0489(4) 0.9033(3) 0.0828(14) Uani 1 1 d . . . H39 H 0.1895 0.0645 0.8541 0.124 Uiso 1 1 calc R . . H40 H 0.0734 0.0536 0.8983 0.124 Uiso 1 1 calc R . . H41 H 0.2007 -0.0299 0.9335 0.124 Uiso 1 1 calc R . . C20 C 0.3296(4) 0.1306(4) 0.9723(3) 0.0770(13) Uani 1 1 d . . . H42 H 0.3385 0.1834 1.0002 0.115 Uiso 1 1 calc R . . H43 H 0.3718 0.1434 0.9262 0.115 Uiso 1 1 calc R . . H44 H 0.3624 0.0488 1.0023 0.115 Uiso 1 1 calc R . . C21 C 0.8033(4) 0.0781(5) 0.6609(3) 0.0927(17) Uani 1 1 d . . . H45 H 0.7960 0.1004 0.6067 0.139 Uiso 1 1 calc R . . H46 H 0.8257 -0.0077 0.6804 0.139 Uiso 1 1 calc R . . H47 H 0.8640 0.1065 0.6760 0.139 Uiso 1 1 calc R . . C22 C 0.6738(5) 0.1203(4) 0.8021(3) 0.0887(17) Uani 1 1 d . . . H48 H 0.7305 0.1577 0.8120 0.133 Uiso 1 1 calc R . . H49 H 0.7027 0.0355 0.8264 0.133 Uiso 1 1 calc R . . H50 H 0.5973 0.1541 0.8216 0.133 Uiso 1 1 calc R . . C23 C 0.6243(4) 0.3097(3) 0.6564(2) 0.0621(11) Uani 1 1 d . . . H51 H 0.5447 0.3508 0.6685 0.093 Uiso 1 1 calc R . . H52 H 0.6295 0.3264 0.6024 0.093 Uiso 1 1 calc R . . H53 H 0.6821 0.3368 0.6760 0.093 Uiso 1 1 calc R . . C24 C 0.4864(5) -0.0692(4) 0.8316(2) 0.0855(15) Uani 1 1 d . . . H54 H 0.4003 -0.0423 0.8241 0.128 Uiso 1 1 calc R . . H55 H 0.5109 -0.0157 0.8525 0.128 Uiso 1 1 calc R . . H56 H 0.5114 -0.1487 0.8658 0.128 Uiso 1 1 calc R . . C25 C 0.4910(4) -0.1602(3) 0.6982(3) 0.0661(11) Uani 1 1 d . . . H57 H 0.5092 -0.2406 0.7310 0.099 Uiso 1 1 calc R . . H58 H 0.5245 -0.1621 0.6498 0.099 Uiso 1 1 calc R . . H59 H 0.4052 -0.1242 0.6919 0.099 Uiso 1 1 calc R . . C26 C 0.7172(4) -0.1622(4) 0.7580(3) 0.0932(18) Uani 1 1 d . . . H60 H 0.7229 -0.2407 0.7907 0.140 Uiso 1 1 calc R . . H61 H 0.7590 -0.1240 0.7817 0.140 Uiso 1 1 calc R . . H62 H 0.7530 -0.1693 0.7109 0.140 Uiso 1 1 calc R . . C27 C 0.4784(3) 0.3546(4) 0.4660(2) 0.0611(10) Uani 1 1 d . . . H63 H 0.4710 0.4272 0.4263 0.092 Uiso 1 1 calc R . . H64 H 0.5139 0.2866 0.4470 0.092 Uiso 1 1 calc R . . H65 H 0.5285 0.3511 0.5069 0.092 Uiso 1 1 calc R . . C28 C 0.2619(4) 0.4844(3) 0.5360(2) 0.0673(11) Uani 1 1 d . . . H66 H 0.3152 0.4832 0.5744 0.101 Uiso 1 1 calc R . . H67 H 0.1853 0.4827 0.5568 0.101 Uiso 1 1 calc R . . H68 H 0.2513 0.5562 0.4950 0.101 Uiso 1 1 calc R . . C29 C 0.2413(4) 0.3748(4) 0.4127(2) 0.0736(13) Uani 1 1 d . . . H69 H 0.1582 0.3833 0.4236 0.110 Uiso 1 1 calc R . . H70 H 0.2741 0.3068 0.3934 0.110 Uiso 1 1 calc R . . H71 H 0.2472 0.4460 0.3757 0.110 Uiso 1 1 calc R . . C30 C 0.1602(4) 0.1191(5) 0.4964(3) 0.0801(14) Uani 1 1 d . . . H72 H 0.0791 0.1164 0.4943 0.120 Uiso 1 1 calc R . . H73 H 0.2154 0.0398 0.5039 0.120 Uiso 1 1 calc R . . H74 H 0.1760 0.1708 0.4497 0.120 Uiso 1 1 calc R . . C31 C 0.0535(3) 0.3149(4) 0.5731(3) 0.0710(12) Uani 1 1 d . . . H75 H -0.0203 0.2947 0.5823 0.107 Uiso 1 1 calc R . . H76 H 0.0475 0.3719 0.5243 0.107 Uiso 1 1 calc R . . H77 H 0.0676 0.3494 0.6113 0.107 Uiso 1 1 calc R . . C32 C 0.1672(3) 0.0598(4) 0.6622(2) 0.0641(11) Uani 1 1 d . . . H78 H 0.1857 0.0796 0.7062 0.096 Uiso 1 1 calc R . . H79 H 0.2229 -0.0159 0.6606 0.096 Uiso 1 1 calc R . . H80 H 0.0867 0.0545 0.6645 0.096 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ge1A 0.0379(4) 0.0574(4) 0.0504(4) -0.0327(3) 0.0068(3) -0.0140(3) Ge1B 0.0550(13) 0.0469(13) 0.0374(11) -0.0143(9) 0.0073(9) -0.0037(10) Ge1C 0.045(2) 0.052(2) 0.043(2) -0.0246(19) 0.0084(18) -0.0151(18) Ge1D 0.0572(14) 0.0399(12) 0.0394(12) -0.0169(9) 0.0096(10) -0.0066(10) Si1 0.0400(5) 0.0455(5) 0.0404(5) -0.0192(4) 0.0067(4) -0.0114(4) Si2 0.0382(5) 0.0394(5) 0.0380(5) -0.0176(4) 0.0003(4) -0.0070(4) Si3 0.0471(6) 0.0500(6) 0.0576(6) -0.0109(5) 0.0076(5) -0.0199(5) Si4 0.0701(8) 0.0769(8) 0.0805(9) -0.0334(7) -0.0181(6) -0.0274(7) Si5 0.0415(6) 0.0670(7) 0.0559(7) -0.0070(5) 0.0059(5) -0.0190(5) Si6 0.0606(7) 0.0475(6) 0.0510(6) -0.0042(5) -0.0039(5) -0.0138(5) Si7 0.0453(6) 0.0465(6) 0.0680(7) -0.0151(5) -0.0148(5) -0.0165(5) Si8 0.0513(6) 0.0333(5) 0.0603(6) -0.0100(4) -0.0119(5) -0.0089(4) Si9 0.0430(5) 0.0470(5) 0.0394(5) -0.0086(4) -0.0029(4) -0.0118(4) Si10 0.0336(5) 0.0532(6) 0.0562(6) -0.0179(5) -0.0021(4) -0.0137(4) C1 0.0405(18) 0.0464(19) 0.0454(19) -0.0172(15) 0.0052(14) -0.0163(15) C2 0.074(3) 0.051(2) 0.064(2) -0.0321(19) 0.030(2) -0.024(2) C3 0.082(3) 0.056(2) 0.052(2) -0.0269(19) 0.025(2) -0.030(2) C4 0.0489(19) 0.0419(18) 0.0385(18) -0.0159(14) 0.0084(14) -0.0166(15) C5 0.0369(17) 0.0355(16) 0.0428(18) -0.0139(14) -0.0055(13) -0.0104(13) C6 0.0333(17) 0.0416(18) 0.0493(19) -0.0203(15) 0.0024(14) -0.0072(14) C7 0.0410(18) 0.0455(18) 0.0384(17) -0.0225(15) 0.0011(13) -0.0097(15) C8 0.0319(16) 0.0412(17) 0.0368(17) -0.0162(14) 0.0000(12) -0.0101(13) C9 0.059(3) 0.073(3) 0.066(3) 0.002(2) -0.013(2) -0.021(2) C10 0.087(3) 0.050(3) 0.115(4) -0.016(3) 0.010(3) -0.017(2) C11 0.077(3) 0.109(4) 0.068(3) -0.027(3) 0.024(2) -0.060(3) C12 0.106(4) 0.101(4) 0.097(4) -0.045(3) 0.006(3) -0.065(3) C13 0.048(3) 0.167(6) 0.235(8) -0.126(6) -0.029(4) -0.008(3) C14 0.232(8) 0.144(6) 0.104(5) 0.013(4) -0.097(5) -0.116(6) C15 0.046(3) 0.082(4) 0.196(7) 0.035(4) -0.001(3) -0.016(3) C16 0.077(3) 0.229(8) 0.073(3) -0.061(4) 0.008(3) -0.078(4) C17 0.063(3) 0.078(3) 0.075(3) -0.019(2) 0.014(2) -0.037(2) C18 0.097(4) 0.091(4) 0.056(3) 0.008(3) 0.004(2) -0.030(3) C19 0.088(3) 0.047(2) 0.115(4) -0.026(3) 0.001(3) -0.020(2) C20 0.071(3) 0.075(3) 0.068(3) -0.006(2) -0.021(2) -0.007(2) C21 0.043(2) 0.088(4) 0.157(5) -0.048(4) -0.004(3) -0.022(2) C22 0.125(4) 0.075(3) 0.073(3) -0.006(2) -0.047(3) -0.045(3) C23 0.069(3) 0.056(2) 0.069(3) -0.011(2) -0.006(2) -0.035(2) C24 0.133(5) 0.060(3) 0.054(3) 0.001(2) 0.000(3) -0.031(3) C25 0.069(3) 0.043(2) 0.090(3) -0.020(2) -0.007(2) -0.020(2) C26 0.068(3) 0.045(2) 0.150(5) -0.011(3) -0.039(3) -0.001(2) C27 0.058(2) 0.059(2) 0.061(2) -0.0047(19) 0.0055(19) -0.022(2) C28 0.077(3) 0.043(2) 0.073(3) -0.011(2) 0.008(2) -0.011(2) C29 0.075(3) 0.092(3) 0.047(2) 0.000(2) -0.016(2) -0.031(3) C30 0.071(3) 0.105(4) 0.086(3) -0.043(3) -0.009(2) -0.042(3) C31 0.038(2) 0.070(3) 0.087(3) -0.007(2) 0.004(2) -0.0045(19) C32 0.049(2) 0.058(2) 0.090(3) -0.016(2) 0.011(2) -0.0271(19) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ge1A Si1 2.2259(11) . ? Ge1A Si2 2.2290(11) . ? Ge1B Si2 2.143(2) . ? Ge1B Si1 2.284(2) . ? Ge1C Si2 2.201(7) . ? Ge1C Si1 2.216(7) . ? Ge1D Si1 2.142(2) . ? Ge1D Si2 2.273(2) . ? Si1 C1 1.896(3) . ? Si1 C4 1.899(3) . ? Si2 C5 1.894(3) . ? Si2 C8 1.896(3) . ? Si3 C11 1.862(4) . ? Si3 C10 1.872(5) . ? Si3 C9 1.873(4) . ? Si3 C1 1.905(4) . ? Si4 C13 1.847(6) . ? Si4 C12 1.867(5) . ? Si4 C14 1.869(6) . ? Si4 C1 1.902(3) . ? Si5 C16 1.849(5) . ? Si5 C15 1.867(5) . ? Si5 C17 1.867(4) . ? Si5 C4 1.912(4) . ? Si6 C19 1.872(5) . ? Si6 C20 1.878(4) . ? Si6 C18 1.880(5) . ? Si6 C4 1.907(4) . ? Si7 C23 1.866(4) . ? Si7 C22 1.866(5) . ? Si7 C21 1.881(5) . ? Si7 C5 1.909(3) . ? Si8 C24 1.860(5) . ? Si8 C25 1.868(4) . ? Si8 C26 1.871(4) . ? Si8 C5 1.909(3) . ? Si9 C28 1.860(4) . ? Si9 C27 1.873(4) . ? Si9 C29 1.876(4) . ? Si9 C8 1.916(3) . ? Si10 C31 1.865(4) . ? Si10 C32 1.873(4) . ? Si10 C30 1.878(4) . ? Si10 C8 1.908(3) . ? C1 C2 1.568(5) . ? C2 C3 1.537(5) . ? C2 H1 0.9800 . ? C2 H2 0.9800 . ? C3 C4 1.564(5) . ? C3 H3 0.9800 . ? C3 H4 0.9800 . ? C5 C6 1.570(4) . ? C6 C7 1.538(4) . ? C6 H5 0.9800 . ? C6 H6 0.9800 . ? C7 C8 1.568(4) . ? C7 H7 0.9800 . ? C7 H8 0.9800 . ? C9 H9 0.9700 . ? C9 H10 0.9700 . ? C9 H11 0.9700 . ? C10 H12 0.9700 . ? C10 H13 0.9700 . ? C10 H14 0.9700 . ? C11 H15 0.9700 . ? C11 H16 0.9700 . ? C11 H17 0.9700 . ? C12 H18 0.9700 . ? C12 H19 0.9700 . ? C12 H20 0.9700 . ? C13 H21 0.9700 . ? C13 H22 0.9700 . ? C13 H23 0.9700 . ? C14 H24 0.9700 . ? C14 H25 0.9700 . ? C14 H26 0.9700 . ? C15 H27 0.9700 . ? C15 H28 0.9700 . ? C15 H29 0.9700 . ? C16 H30 0.9700 . ? C16 H31 0.9700 . ? C16 H32 0.9700 . ? C17 H33 0.9700 . ? C17 H34 0.9700 . ? C17 H35 0.9700 . ? C18 H36 0.9700 . ? C18 H37 0.9700 . ? C18 H38 0.9700 . ? C19 H39 0.9700 . ? C19 H40 0.9700 . ? C19 H41 0.9700 . ? C20 H42 0.9700 . ? C20 H43 0.9700 . ? C20 H44 0.9700 . ? C21 H45 0.9700 . ? C21 H46 0.9700 . ? C21 H47 0.9700 . ? C22 H48 0.9700 . ? C22 H49 0.9700 . ? C22 H50 0.9700 . ? C23 H51 0.9700 . ? C23 H52 0.9700 . ? C23 H53 0.9700 . ? C24 H54 0.9700 . ? C24 H55 0.9700 . ? C24 H56 0.9700 . ? C25 H57 0.9700 . ? C25 H58 0.9700 . ? C25 H59 0.9700 . ? C26 H60 0.9700 . ? C26 H61 0.9700 . ? C26 H62 0.9700 . ? C27 H63 0.9700 . ? C27 H64 0.9700 . ? C27 H65 0.9700 . ? C28 H66 0.9700 . ? C28 H67 0.9700 . ? C28 H68 0.9700 . ? C29 H69 0.9700 . ? C29 H70 0.9700 . ? C29 H71 0.9700 . ? C30 H72 0.9700 . ? C30 H73 0.9700 . ? C30 H74 0.9700 . ? C31 H75 0.9700 . ? C31 H76 0.9700 . ? C31 H77 0.9700 . ? C32 H78 0.9700 . ? C32 H79 0.9700 . ? C32 H80 0.9700 . ?