#------------------------------------------------------------------------------
#$Date: 2017-09-15 05:18:56 +0300 (Fri, 15 Sep 2017) $
#$Revision: 200912 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/91/7229170.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_7229170
loop_
_publ_author_name
'Fujiwara, Atsushi'
'Inagaki, Yusuke'
'Momma, Hiroyuki'
'Kwon, Eunsang'
'Yamaguchi, Kentaro'
'Kanno, Manabu'
'Kono, Hirohiko'
'Setaka, Wataru'
_publ_section_title
;
 A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its
 Temperature Dependent Birefringence
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01081H
_journal_year                    2017
_chemical_compound_source        no
_chemical_formula_moiety         'C66 H116 Si2'
_chemical_formula_sum            'C66 H116 Si2'
_chemical_formula_weight         965.76
_chemical_melting_point          "'274-276 deg.C'"
_chemical_name_common            C18satBiphCage
_chemical_name_systematic        C18satBiphCage
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1p5yyr
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-06-08 deposited with the CCDC.
2017-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.8090(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.097(3)
_cell_length_b                   11.4728(10)
_cell_length_c                   16.9361(14)
_cell_measurement_reflns_used    3969
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.75
_cell_measurement_theta_min      2.48
_cell_volume                     6374.7(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.917
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17101
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.917
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.932
_diffrn_reflns_theta_min         1.241
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Bruker'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.006
_exptl_crystal_description       prism
_exptl_crystal_F_000             2160
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: tetrahydrofuran/methanol (4:1 v/v)'
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         7008
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.1177
_refine_ls_R_factor_gt           0.0837
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1516P)²+5.6586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2458
_refine_ls_wR_factor_ref         0.2783
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4602
_reflns_number_total             7008
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01081h2.cif
_cod_data_source_block           shelx_CCDC1
_cod_original_cell_volume        6374.6(9)
_cod_database_code               7229170
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.995
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si01 Si 0.33658(2) 0.52809(7) 0.07844(4) 0.0445(3) Uani 1 1 d . . . . .
C01 C 0.39359(7) 0.5471(2) 0.12509(16) 0.0451(6) Uani 1 1 d . . . . .
C02 C 0.41161(8) 0.6459(2) 0.16925(17) 0.0481(6) Uani 1 1 d . . . . .
H02 H 0.3951 0.7123 0.1670 0.058 Uiso 1 1 calc R U . . .
C03 C 0.45306(8) 0.6521(2) 0.21690(17) 0.0472(6) Uani 1 1 d . . . . .
H03 H 0.4642 0.7221 0.2460 0.057 Uiso 1 1 calc R U . . .
C04 C 0.47818(7) 0.5576(2) 0.22234(17) 0.0471(6) Uani 1 1 d . . . . .
C05 C 0.46084(9) 0.4603(3) 0.1755(3) 0.0797(12) Uani 1 1 d . . . . .
H05 H 0.4776 0.3948 0.1767 0.096 Uiso 1 1 calc R U . . .
C06 C 0.41974(9) 0.4551(3) 0.1267(2) 0.0753(11) Uani 1 1 d . . . . .
H06 H 0.4092 0.3876 0.0938 0.090 Uiso 1 1 calc R U . . .
C07 C 0.32417(8) 0.4087(3) -0.00212(18) 0.0532(7) Uani 1 1 d . . . . .
H07A H 0.3392 0.4230 -0.0408 0.064 Uiso 1 1 calc R U . . .
H07B H 0.3340 0.3339 0.0271 0.064 Uiso 1 1 calc R U . . .
C08 C 0.27861(8) 0.3972(3) -0.0547(2) 0.0604(8) Uani 1 1 d . . . . .
H08A H 0.2631 0.4000 -0.0160 0.072 Uiso 1 1 calc R U . . .
H08B H 0.2702 0.4653 -0.0929 0.072 Uiso 1 1 calc R U . . .
C09 C 0.26702(10) 0.2869(3) -0.1072(2) 0.0708(9) Uani 1 1 d . . . . .
H09A H 0.2752 0.2188 -0.0690 0.085 Uiso 1 1 calc R U . . .
H09B H 0.2370 0.2846 -0.1349 0.085 Uiso 1 1 calc R U . . .
C10 C 0.28574(11) 0.2757(4) -0.1735(2) 0.0750(10) Uani 1 1 d . . . . .
H10A H 0.3157 0.2832 -0.1466 0.090 Uiso 1 1 calc R U . . .
H10B H 0.2760 0.3404 -0.2144 0.090 Uiso 1 1 calc R U . . .
C11 C 0.27566(10) 0.1584(3) -0.2219(2) 0.0708(10) Uani 1 1 d . . . . .
H11A H 0.2841 0.0937 -0.1806 0.085 Uiso 1 1 calc R U . . .
H11B H 0.2458 0.1529 -0.2513 0.085 Uiso 1 1 calc R U . . .
C12 C 0.29610(11) 0.1435(4) -0.2854(2) 0.0773(10) Uani 1 1 d . . . . .
H12A H 0.2853 0.2037 -0.3297 0.093 Uiso 1 1 calc R U . . .
H12B H 0.2881 0.0666 -0.3129 0.093 Uiso 1 1 calc R U . . .
C13 C 0.34224(11) 0.1512(4) -0.2523(2) 0.0757(10) Uani 1 1 d . . . . .
H13A H 0.3519 0.1398 -0.3000 0.091 Uiso 1 1 calc R U . . .
H13B H 0.3505 0.2304 -0.2294 0.091 Uiso 1 1 calc R U . . .
C14 C 0.36222(14) 0.0654(4) -0.1863(3) 0.0984(13) Uani 1 1 d . . . . .
H14A H 0.3532 -0.0136 -0.2086 0.118 Uiso 1 1 calc R U . . .
H14B H 0.3533 0.0787 -0.1378 0.118 Uiso 1 1 calc R U . . .
C15 C 0.40836(14) 0.0702(5) -0.1556(3) 0.1060(15) Uani 1 1 d . . . . .
H15A H 0.4194 0.0027 -0.1180 0.127 Uiso 1 1 calc R U . . .
H15B H 0.4171 0.0621 -0.2048 0.127 Uiso 1 1 calc R U . . .
C16 C 0.42678(12) 0.1797(4) -0.1088(3) 0.0905(13) Uani 1 1 d . . . . .
H16A H 0.4145 0.1958 -0.0657 0.109 Uiso 1 1 calc R U . . .
H16B H 0.4201 0.2458 -0.1490 0.109 Uiso 1 1 calc R U . . .
C17 C 0.47287(13) 0.1721(5) -0.0658(3) 0.0997(14) Uani 1 1 d . . . . .
H17A H 0.4792 0.1067 -0.0251 0.120 Uiso 1 1 calc R U . . .
H17B H 0.4848 0.1529 -0.1092 0.120 Uiso 1 1 calc R U . . .
C18 C 0.49305(12) 0.2775(5) -0.0209(3) 0.1018(15) Uani 1 1 d . . . . .
H18A H 0.4780 0.3059 0.0150 0.122 Uiso 1 1 calc R U . . .
H18B H 0.4917 0.3391 -0.0627 0.122 Uiso 1 1 calc R U . . .
C19 C 0.53716(13) 0.2575(5) 0.0339(3) 0.1061(16) Uani 1 1 d . . . . .
H19A H 0.5382 0.1944 0.0745 0.127 Uiso 1 1 calc R U . . .
H19B H 0.5519 0.2295 -0.0026 0.127 Uiso 1 1 calc R U . . .
C20 C 0.55943(12) 0.3601(5) 0.0824(3) 0.0973(14) Uani 1 1 d . . . . .
H20A H 0.5416 0.4018 0.1071 0.117 Uiso 1 1 calc R U . . .
H20B H 0.5659 0.4143 0.0434 0.117 Uiso 1 1 calc R U . . .
C21 C 0.59913(11) 0.3251(4) 0.1534(2) 0.0823(11) Uani 1 1 d . . . . .
H21A H 0.5923 0.2714 0.1922 0.099 Uiso 1 1 calc R U . . .
H21B H 0.6163 0.2814 0.1281 0.099 Uiso 1 1 calc R U . . .
C22 C 0.62340(10) 0.4224(4) 0.2035(2) 0.0791(11) Uani 1 1 d . . . . .
H22A H 0.6057 0.4699 0.2251 0.095 Uiso 1 1 calc R U . . .
H22B H 0.6322 0.4726 0.1656 0.095 Uiso 1 1 calc R U . . .
C23 C 0.66057(9) 0.3861(3) 0.2772(2) 0.0650(8) Uani 1 1 d . . . . .
H23A H 0.6800 0.3475 0.2552 0.078 Uiso 1 1 calc R U . . .
H23B H 0.6523 0.3282 0.3113 0.078 Uiso 1 1 calc R U . . .
C24 C 0.31752(8) 0.4875(3) 0.16520(19) 0.0579(7) Uani 1 1 d . . . . .
H24A H 0.3195 0.5571 0.2010 0.069 Uiso 1 1 calc R U . . .
H24B H 0.2883 0.4673 0.1392 0.069 Uiso 1 1 calc R U . . .
C25 C 0.31146(8) 0.6675(3) 0.03016(17) 0.0496(6) Uani 1 1 d . . . . .
H25A H 0.2816 0.6574 0.0125 0.060 Uiso 1 1 calc R U . . .
H25B H 0.3195 0.7289 0.0741 0.060 Uiso 1 1 calc R U . . .
C26 C 0.32135(10) 0.7102(3) -0.04596(19) 0.0619(8) Uani 1 1 d . . . . .
H26A H 0.3513 0.7130 -0.0301 0.074 Uiso 1 1 calc R U . . .
H26B H 0.3107 0.6527 -0.0922 0.074 Uiso 1 1 calc R U . . .
C27 C 0.30401(10) 0.8294(3) -0.0790(2) 0.0703(9) Uani 1 1 d . . . . .
H27A H 0.3113 0.8484 -0.1288 0.084 Uiso 1 1 calc R U . . .
H27B H 0.2739 0.8255 -0.0980 0.084 Uiso 1 1 calc R U . . .
C28 C 0.31870(12) 0.9266(3) -0.0153(2) 0.0774(10) Uani 1 1 d . . . . .
H28A H 0.3077 0.9140 0.0304 0.093 Uiso 1 1 calc R U . . .
H28B H 0.3076 1.0013 -0.0432 0.093 Uiso 1 1 calc R U . . .
C29 C 0.36480(13) 0.9362(4) 0.0235(2) 0.0899(12) Uani 1 1 d D . . . .
H29A H 0.3752 0.8648 0.0571 0.108 Uiso 1 1 calc R U . . .
H29B H 0.3757 0.9369 -0.0230 0.108 Uiso 1 1 calc R U . . .
C30 C 0.3817(2) 1.0372(5) 0.0779(3) 0.141(3) Uani 1 1 d . . . . .
H30A H 0.3689 1.0426 0.1213 0.169 Uiso 1 1 calc R U . . .
H30B H 0.3748 1.1091 0.0433 0.169 Uiso 1 1 calc R U . . .
C31 C 0.4283(2) 1.0295(7) 0.1218(4) 0.188(4) Uani 1 1 d D U . . .
H31A H 0.4340 0.9560 0.1546 0.226 Uiso 1 1 calc R U . . .
H31B H 0.4398 1.0200 0.0766 0.226 Uiso 1 1 calc R U . . .
C32 C 0.4512(3) 1.1160(8) 0.1756(5) 0.227(4) Uani 1 1 d D U . . .
H32A H 0.4425 1.1314 0.2242 0.273 Uiso 0.16(3) 1 calc R U P A 1
H32B H 0.4524 1.1895 0.1460 0.273 Uiso 0.16(3) 1 calc R U P A 1
H32C H 0.4384 1.1308 0.2182 0.273 Uiso 0.84(3) 1 calc R U P A 2
H32D H 0.4478 1.1881 0.1416 0.273 Uiso 0.84(3) 1 calc R U P A 2
C33 C 0.4940(5) 1.037(3) 0.2012(6) 0.242(13) Uani 0.16(3) 1 d D U P A 1
H33A H 0.4888 0.9572 0.1773 0.290 Uiso 0.16(3) 1 calc R U P A 1
H33B H 0.5149 1.0752 0.1834 0.290 Uiso 0.16(3) 1 calc R U P A 1
C133 C 0.4945(4) 1.1011(17) 0.2212(6) 0.268(8) Uani 0.84(3) 1 d D U P A 2
H13C H 0.5023 1.0263 0.2021 0.322 Uiso 0.84(3) 1 calc R U P A 2
H13D H 0.5085 1.1633 0.2015 0.322 Uiso 0.84(3) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C25 Si01 C07 110.85(13) . .
C25 Si01 C24 108.13(13) . .
C07 Si01 C24 109.49(15) . .
C25 Si01 C01 110.46(13) . .
C07 Si01 C01 109.13(12) . .
C24 Si01 C01 108.74(12) . .
C02 C01 C06 116.1(2) . .
C02 C01 Si01 122.38(19) . .
C06 C01 Si01 121.0(2) . .
C01 C02 C03 122.6(2) . .
C01 C02 H02 118.7 . .
C03 C02 H02 118.7 . .
C04 C03 C02 120.7(2) . .
C04 C03 H03 119.7 . .
C02 C03 H03 119.7 . .
C03 C04 C05 117.2(2) . .
C03 C04 C04 122.25(18) . 2_655
C05 C04 C04 120.54(18) . 2_655
C04 C05 C06 122.0(3) . .
C04 C05 H05 119.0 . .
C06 C05 H05 119.0 . .
C05 C06 C01 121.2(3) . .
C05 C06 H06 119.4 . .
C01 C06 H06 119.4 . .
C08 C07 Si01 114.2(2) . .
C08 C07 H07A 108.7 . .
Si01 C07 H07A 108.7 . .
C08 C07 H07B 108.7 . .
Si01 C07 H07B 108.7 . .
H07A C07 H07B 107.6 . .
C09 C08 C07 114.8(3) . .
C09 C08 H08A 108.6 . .
C07 C08 H08A 108.6 . .
C09 C08 H08B 108.6 . .
C07 C08 H08B 108.6 . .
H08A C08 H08B 107.5 . .
C10 C09 C08 114.5(3) . .
C10 C09 H09A 108.6 . .
C08 C09 H09A 108.6 . .
C10 C09 H09B 108.6 . .
C08 C09 H09B 108.6 . .
H09A C09 H09B 107.6 . .
C09 C10 C11 113.2(3) . .
C09 C10 H10A 108.9 . .
C11 C10 H10A 108.9 . .
C09 C10 H10B 108.9 . .
C11 C10 H10B 108.9 . .
H10A C10 H10B 107.8 . .
C12 C11 C10 113.6(3) . .
C12 C11 H11A 108.8 . .
C10 C11 H11A 108.8 . .
C12 C11 H11B 108.8 . .
C10 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
C11 C12 C13 116.6(3) . .
C11 C12 H12A 108.1 . .
C13 C12 H12A 108.1 . .
C11 C12 H12B 108.1 . .
C13 C12 H12B 108.1 . .
H12A C12 H12B 107.3 . .
C14 C13 C12 113.7(3) . .
C14 C13 H13A 108.8 . .
C12 C13 H13A 108.8 . .
C14 C13 H13B 108.8 . .
C12 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C13 C14 C15 113.6(4) . .
C13 C14 H14A 108.8 . .
C15 C14 H14A 108.8 . .
C13 C14 H14B 108.8 . .
C15 C14 H14B 108.8 . .
H14A C14 H14B 107.7 . .
C16 C15 C14 114.8(4) . .
C16 C15 H15A 108.6 . .
C14 C15 H15A 108.6 . .
C16 C15 H15B 108.6 . .
C14 C15 H15B 108.6 . .
H15A C15 H15B 107.6 . .
C15 C16 C17 112.9(4) . .
C15 C16 H16A 109.0 . .
C17 C16 H16A 109.0 . .
C15 C16 H16B 109.0 . .
C17 C16 H16B 109.0 . .
H16A C16 H16B 107.8 . .
C18 C17 C16 115.8(4) . .
C18 C17 H17A 108.3 . .
C16 C17 H17A 108.3 . .
C18 C17 H17B 108.3 . .
C16 C17 H17B 108.3 . .
H17A C17 H17B 107.4 . .
C17 C18 C19 113.1(4) . .
C17 C18 H18A 109.0 . .
C19 C18 H18A 109.0 . .
C17 C18 H18B 109.0 . .
C19 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C20 C19 C18 116.2(5) . .
C20 C19 H19A 108.2 . .
C18 C19 H19A 108.2 . .
C20 C19 H19B 108.2 . .
C18 C19 H19B 108.2 . .
H19A C19 H19B 107.4 . .
C19 C20 C21 112.2(4) . .
C19 C20 H20A 109.2 . .
C21 C20 H20A 109.2 . .
C19 C20 H20B 109.2 . .
C21 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
C22 C21 C20 115.5(4) . .
C22 C21 H21A 108.4 . .
C20 C21 H21A 108.4 . .
C22 C21 H21B 108.4 . .
C20 C21 H21B 108.4 . .
H21A C21 H21B 107.5 . .
C21 C22 C23 114.8(4) . .
C21 C22 H22A 108.6 . .
C23 C22 H22A 108.6 . .
C21 C22 H22B 108.6 . .
C23 C22 H22B 108.6 . .
H22A C22 H22B 107.5 . .
C22 C23 C24 114.1(3) . 2_655
C22 C23 H23A 108.7 . .
C24 C23 H23A 108.7 2_655 .
C22 C23 H23B 108.7 . .
C24 C23 H23B 108.7 2_655 .
H23A C23 H23B 107.6 . .
C23 C24 Si01 116.6(2) 2_655 .
C23 C24 H24A 108.1 2_655 .
Si01 C24 H24A 108.1 . .
C23 C24 H24B 108.1 2_655 .
Si01 C24 H24B 108.1 . .
H24A C24 H24B 107.3 . .
C26 C25 Si01 115.5(2) . .
C26 C25 H25A 108.4 . .
Si01 C25 H25A 108.4 . .
C26 C25 H25B 108.4 . .
Si01 C25 H25B 108.4 . .
H25A C25 H25B 107.5 . .
C27 C26 C25 114.6(3) . .
C27 C26 H26A 108.6 . .
C25 C26 H26A 108.6 . .
C27 C26 H26B 108.6 . .
C25 C26 H26B 108.6 . .
H26A C26 H26B 107.6 . .
C28 C27 C26 114.3(3) . .
C28 C27 H27A 108.7 . .
C26 C27 H27A 108.7 . .
C28 C27 H27B 108.7 . .
C26 C27 H27B 108.7 . .
H27A C27 H27B 107.6 . .
C27 C28 C29 113.8(3) . .
C27 C28 H28A 108.8 . .
C29 C28 H28A 108.8 . .
C27 C28 H28B 108.8 . .
C29 C28 H28B 108.8 . .
H28A C28 H28B 107.7 . .
C30 C29 C28 117.3(5) . .
C30 C29 H29A 108.0 . .
C28 C29 H29A 108.0 . .
C30 C29 H29B 108.0 . .
C28 C29 H29B 108.0 . .
H29A C29 H29B 107.2 . .
C29 C30 C31 112.3(6) . .
C29 C30 H30A 109.1 . .
C31 C30 H30A 109.1 . .
C29 C30 H30B 109.1 . .
C31 C30 H30B 109.1 . .
H30A C30 H30B 107.9 . .
C32 C31 C30 122.7(9) . .
C32 C31 H31A 106.6 . .
C30 C31 H31A 106.6 . .
C32 C31 H31B 106.6 . .
C30 C31 H31B 106.6 . .
H31A C31 H31B 106.6 . .
C31 C32 C133 121.0(11) . .
C31 C32 C33 92.2(9) . .
C31 C32 H32A 113.3 . .
C33 C32 H32A 113.3 . .
C31 C32 H32B 113.3 . .
C33 C32 H32B 113.3 . .
H32A C32 H32B 110.6 . .
C31 C32 H32C 107.1 . .
C133 C32 H32C 107.1 . .
C31 C32 H32D 107.1 . .
C133 C32 H32D 107.1 . .
H32C C32 H32D 106.8 . .
C33 C33 C32 98.8(14) 2_655 .
C33 C33 H33A 112.0 2_655 .
C32 C33 H33A 112.0 . .
C33 C33 H33B 112.0 2_655 .
C32 C33 H33B 112.0 . .
H33A C33 H33B 109.7 . .
C133 C133 C32 122(2) 2_655 .
C133 C133 H13C 106.7 2_655 .
C32 C133 H13C 106.7 . .
C133 C133 H13D 106.7 2_655 .
C32 C133 H13D 106.7 . .
H13C C133 H13D 106.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si01 C25 1.869(3) .
Si01 C07 1.872(3) .
Si01 C24 1.877(3) .
Si01 C01 1.885(3) .
C01 C02 1.381(4) .
C01 C06 1.392(4) .
C02 C03 1.393(3) .
C02 H02 0.9500 .
C03 C04 1.379(4) .
C03 H03 0.9500 .
C04 C05 1.380(4) .
C04 C04 1.485(5) 2_655
C05 C06 1.386(4) .
C05 H05 0.9500 .
C06 H06 0.9500 .
C07 C08 1.535(4) .
C07 H07A 0.9900 .
C07 H07B 0.9900 .
C08 C09 1.517(5) .
C08 H08A 0.9900 .
C08 H08B 0.9900 .
C09 C10 1.494(5) .
C09 H09A 0.9900 .
C09 H09B 0.9900 .
C10 C11 1.550(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.500(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.516(5) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.467(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.516(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.503(6) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.522(5) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.470(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.513(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.488(6) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.536(5) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.475(5) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.509(4) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.537(4) 2_655
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C23 1.537(4) 2_655
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.530(4) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.520(5) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.509(5) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.519(5) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.467(6) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.541(9) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.393(8) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C133 1.451(13) .
C32 C33 1.677(17) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 H32C 0.9900 .
C32 H32D 0.9900 .
C33 C33 1.55(2) 2_655
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C133 C133 0.91(2) 2_655
C133 H13C 0.9900 .
C133 H13D 0.9900 .
