#------------------------------------------------------------------------------
#$Date: 2022-02-04 20:59:46 +0100 (Fri 04 de Feb de 2022) $
#$Revision: 272755 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/84/7158482.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_7158482
loop_
_publ_author_name
'Santalla, Hugo'
'Nieto Faza, Olalla'
'Gómez, Generosa'
'Fall, Yagamare'
'López, Carlos Silva'
_publ_section_title
;
 On the mechanism of the dyotropic expansion of hydrindanes into decalins.
;
_journal_issue                   5
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              1073
_journal_page_last               1079
_journal_paper_doi               10.1039/d1ob02150h
_journal_volume                  20
_journal_year                    2022
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C25 H42 O4 S Si'
_chemical_formula_sum            'C25 H42 O4 S Si'
_chemical_formula_weight         466.73
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-12-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2021-07-19 deposited with the CCDC.	2022-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                93.903(4)
_cell_angle_beta                 95.575(4)
_cell_angle_gamma                90.203(4)
_cell_formula_units_Z            4
_cell_length_a                   9.9546(9)
_cell_length_b                   11.1380(11)
_cell_length_c                   24.037(2)
_cell_measurement_reflns_used    9444
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.54
_cell_volume                     2646.2(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Incoatec HeliosTM multilayer optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            197680
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.387
_diffrn_reflns_theta_min         2.056
_diffrn_source                   'Incoatec high brillance I\muS microsource'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.194
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1555 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.9002.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.252
_exptl_crystal_size_mid          0.167
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.312
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details
;
 Flack x determined using 11132 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.037(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1149
_refine_ls_number_reflns         25989
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0418P)²+1.4713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1002
_reflns_Friedel_coverage         0.971
_reflns_Friedel_fraction_full    0.982
_reflns_Friedel_fraction_max     0.965
_reflns_number_gt                24963
_reflns_number_total             25989
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob02150h2.cif
_cod_data_source_block           32068101_0m
_cod_depositor_comments
'Adding full bibliography for 7158480--7158482.cif.'
_cod_database_code               7158482
_shelx_shelxl_version_number     2018/3
_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_max   0.989
_shelx_estimated_absorpt_t_min   0.953
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8), C14(H14), C17(H17), C20(H20), C8A(H8A), C14A(H14A), C17A(H17A),
 C20A(H20A), C8B(H8B), C14B(H14B), C17B(H17B), C20B(H20B), C8C(H8C), C14C(H14C),
  C17C(H17C), C20C(H20C)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C11(H11A,H11B), C12(H12A,H12B), C15(H15A,H15B), C16(H16A,H16B),
 C9A(H9AA,H9AB), C11A(H11C,H11D), C12A(H12C,H12D), C15A(H15C,H15D), C16A(H16C,
 H16D), C9B(H9BA,H9BB), C11B(H11E,H11F), C12B(H12E,H12F), C15B(H15E,H15F),
 C16B(H16E,H16F), C9C(H9CA,H9CB), C11C(H11G,H11H), C12C(H12G,H12H), C15C(H15G,
 H15H), C16C(H16G,H16H)
2.c Aromatic/amide H refined with riding coordinates:
 C23(H23), C24(H24), C26(H26), C27(H27), C23A(H23A), C24A(H24A), C26A(H26A),
 C27A(H27A), C23B(H23B), C24B(H24B), C26B(H26B), C27B(H27B), C23C(H23C),
 C24C(H24C), C26C(H26C), C27C(H27C)
2.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C18(H18A,H18B,H18C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C18A(H18D,H18E,H18F), C21A(H21D,H21E,H21F), C28A(H28D,H28E,H28F),
 C29A(H29D,H29E,H29F), C30A(H30D,H30E,H30F), C32A(H32D,H32E,H32F), C33A(H33D,
 H33E,H33F), C34A(H34D,H34E,H34F), C18B(H18G,H18H,H18I), C21B(H21G,H21H,H21I),
 C28B(H28G,H28H,H28I), C29B(H29G,H29H,H29I), C30B(H30G,H30H,H30I), C32B(H32G,
 H32H,H32I), C33B(H33G,H33H,H33I), C34B(H34G,H34H,H34I), C18C(H18J,H18K,H18L),
 C21C(H21J,H21K,H21L), C28C(H28J,H28K,H28L), C29C(H29J,H29K,H29L), C30C(H30J,
 H30K,H30L), C32C(H32J,H32K,H32L), C33C(H33J,H33K,H33L), C34C(H34J,H34K,H34L)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'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_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
S1 S 0.96389(7) 0.59542(7) 0.60569(3) 0.01888(15) Uani 1 1 d . . . . .
Si1 Si 1.43688(8) 0.86344(7) 0.88940(3) 0.01498(16) Uani 1 1 d . . . . .
O1 O 1.3622(2) 0.81375(18) 0.82783(9) 0.0159(4) Uani 1 1 d . . . . .
O2 O 0.9777(2) 0.60534(18) 0.67210(9) 0.0156(4) Uani 1 1 d . . . . .
O3 O 1.0211(2) 0.4819(2) 0.59083(11) 0.0299(6) Uani 1 1 d . . . . .
O4 O 1.0151(3) 0.7029(2) 0.58631(10) 0.0290(6) Uani 1 1 d . . . . .
C8 C 1.3100(3) 0.8900(3) 0.78500(12) 0.0151(5) Uani 1 1 d . . . . .
H8 H 1.310799 0.974859 0.801516 0.018 Uiso 1 1 calc R U . . .
C9 C 1.4006(3) 0.8829(3) 0.73715(13) 0.0192(6) Uani 1 1 d . . . . .
H9A H 1.373763 0.945573 0.711055 0.023 Uiso 1 1 calc R U . . .
H9B H 1.495289 0.899150 0.752525 0.023 Uiso 1 1 calc R U . . .
C11 C 1.3911(3) 0.7601(3) 0.70527(13) 0.0189(6) Uani 1 1 d . . . . .
H11A H 1.427926 0.698466 0.730233 0.023 Uiso 1 1 calc R U . . .
H11B H 1.446321 0.760373 0.673192 0.023 Uiso 1 1 calc R U . . .
C12 C 1.2449(3) 0.7272(3) 0.68374(12) 0.0163(5) Uani 1 1 d . . . . .
H12A H 1.242534 0.645705 0.664405 0.020 Uiso 1 1 calc R U . . .
H12B H 1.211583 0.784456 0.655954 0.020 Uiso 1 1 calc R U . . .
C13 C 1.1498(3) 0.7293(2) 0.73076(12) 0.0126(5) Uani 1 1 d . . . . .
C14 C 1.1641(3) 0.8541(3) 0.76404(12) 0.0141(5) Uani 1 1 d . . . . .
H14 H 1.133190 0.914124 0.736571 0.017 Uiso 1 1 calc R U . . .
C15 C 1.0690(3) 0.8674(3) 0.81011(13) 0.0202(6) Uani 1 1 d . . . . .
H15A H 1.079233 0.949076 0.829105 0.024 Uiso 1 1 calc R U . . .
H15B H 1.092936 0.808312 0.838322 0.024 Uiso 1 1 calc R U . . .
C16 C 0.9221(3) 0.8469(3) 0.78558(14) 0.0215(6) Uani 1 1 d . . . . .
H16A H 0.863990 0.846687 0.816734 0.026 Uiso 1 1 calc R U . . .
H16B H 0.894106 0.914927 0.762811 0.026 Uiso 1 1 calc R U . . .
C17 C 0.8989(3) 0.7293(3) 0.74910(13) 0.0157(5) Uani 1 1 d . . . . .
H17 H 0.914776 0.660649 0.773585 0.019 Uiso 1 1 calc R U . . .
C20 C 1.0011(3) 0.7216(2) 0.70539(12) 0.0136(5) Uani 1 1 d . . . . .
H20 H 0.983828 0.788522 0.679980 0.016 Uiso 1 1 calc R U . . .
C21 C 0.7526(3) 0.7217(3) 0.72247(14) 0.0213(6) Uani 1 1 d . . . . .
H21A H 0.691269 0.723199 0.752009 0.032 Uiso 1 1 calc R U . . .
H21B H 0.738946 0.646667 0.698784 0.032 Uiso 1 1 calc R U . . .
H21C H 0.734132 0.790370 0.699573 0.032 Uiso 1 1 calc R U . . .
C22 C 0.7888(3) 0.5886(3) 0.58650(12) 0.0164(6) Uani 1 1 d . . . . .
C23 C 0.7225(3) 0.4781(3) 0.58130(13) 0.0170(6) Uani 1 1 d . . . . .
H23 H 0.771045 0.406031 0.587197 0.020 Uiso 1 1 calc R U . . .
C24 C 0.5839(3) 0.4746(3) 0.56734(13) 0.0174(6) Uani 1 1 d . . . . .
H24 H 0.537432 0.399367 0.563855 0.021 Uiso 1 1 calc R U . . .
C25 C 0.5116(3) 0.5797(3) 0.55833(12) 0.0188(6) Uani 1 1 d . . . . .
C26 C 0.5810(3) 0.6887(3) 0.56296(13) 0.0213(6) Uani 1 1 d . . . . .
H26 H 0.532653 0.760741 0.556682 0.026 Uiso 1 1 calc R U . . .
C18 C 1.1821(3) 0.6232(3) 0.76681(12) 0.0146(5) Uani 1 1 d . . . . .
H18A H 1.134659 0.632733 0.800693 0.022 Uiso 1 1 calc R U . . .
H18B H 1.279558 0.620756 0.777366 0.022 Uiso 1 1 calc R U . . .
H18C H 1.152623 0.547980 0.745482 0.022 Uiso 1 1 calc R U . . .
C27 C 0.7193(4) 0.6945(3) 0.57656(13) 0.0213(6) Uani 1 1 d . . . . .
H27 H 0.765994 0.769459 0.579084 0.026 Uiso 1 1 calc R U . . .
C28 C 0.3610(3) 0.5747(4) 0.54340(15) 0.0270(7) Uani 1 1 d . . . . .
H28A H 0.341591 0.554691 0.503076 0.041 Uiso 1 1 calc R U . . .
H28B H 0.322269 0.653090 0.553282 0.041 Uiso 1 1 calc R U . . .
H28C H 0.321331 0.512929 0.564137 0.041 Uiso 1 1 calc R U . . .
C29 C 1.3122(4) 0.9381(3) 0.93323(14) 0.0253(7) Uani 1 1 d . . . . .
H29A H 1.273795 1.007681 0.914724 0.038 Uiso 1 1 calc R U . . .
H29B H 1.357440 0.964917 0.970025 0.038 Uiso 1 1 calc R U . . .
H29C H 1.239793 0.880879 0.937935 0.038 Uiso 1 1 calc R U . . .
C30 C 1.5727(4) 0.9755(4) 0.88172(16) 0.0349(9) Uani 1 1 d . . . . .
H30A H 1.636412 0.940100 0.856811 0.052 Uiso 1 1 calc R U . . .
H30B H 1.620485 0.998076 0.918560 0.052 Uiso 1 1 calc R U . . .
H30C H 1.532396 1.047292 0.865777 0.052 Uiso 1 1 calc R U . . .
C31 C 1.5073(3) 0.7246(3) 0.92182(13) 0.0210(6) Uani 1 1 d . . . . .
C32 C 1.5676(4) 0.7586(3) 0.98247(15) 0.0290(7) Uani 1 1 d . . . . .
H32A H 1.636063 0.821933 0.982387 0.043 Uiso 1 1 calc R U . . .
H32B H 1.609155 0.687581 0.998655 0.043 Uiso 1 1 calc R U . . .
H32C H 1.495713 0.787729 1.004899 0.043 Uiso 1 1 calc R U . . .
C33 C 1.6194(4) 0.6723(4) 0.88790(18) 0.0402(10) Uani 1 1 d . . . . .
H33A H 1.583430 0.655485 0.848718 0.060 Uiso 1 1 calc R U . . .
H33B H 1.652234 0.597483 0.903451 0.060 Uiso 1 1 calc R U . . .
H33C H 1.694100 0.730473 0.889921 0.060 Uiso 1 1 calc R U . . .
C34 C 1.3962(4) 0.6290(3) 0.92243(16) 0.0325(8) Uani 1 1 d . . . . .
H34A H 1.320776 0.664153 0.941045 0.049 Uiso 1 1 calc R U . . .
H34B H 1.432369 0.561050 0.942775 0.049 Uiso 1 1 calc R U . . .
H34C H 1.364447 0.600895 0.883863 0.049 Uiso 1 1 calc R U . . .
S1A S 0.47597(7) 0.71495(6) 0.40069(3) 0.01587(14) Uani 1 1 d . . . . .
Si1A Si -0.01920(8) 0.86714(8) 0.11849(3) 0.01680(16) Uani 1 1 d . . . . .
O1A O 0.0687(2) 0.84305(18) 0.17807(8) 0.0158(4) Uani 1 1 d . . . . .
O2A O 0.4747(2) 0.73981(18) 0.33676(9) 0.0164(4) Uani 1 1 d . . . . .
O3A O 0.4138(2) 0.5996(2) 0.40217(10) 0.0243(5) Uani 1 1 d . . . . .
O4A O 0.4242(2) 0.8169(2) 0.43086(9) 0.0205(4) Uani 1 1 d . . . . .
C8A C 0.0719(3) 0.9167(3) 0.22961(12) 0.0144(5) Uani 1 1 d . . . . .
H8A H 0.039359 0.998705 0.220717 0.017 Uiso 1 1 calc R U . . .
C9A C -0.0213(3) 0.8655(3) 0.26901(12) 0.0171(6) Uani 1 1 d . . . . .
H9AA H -0.112103 0.851358 0.248875 0.021 Uiso 1 1 calc R U . . .
H9AB H -0.030010 0.924826 0.301011 0.021 Uiso 1 1 calc R U . . .
C11A C 0.0323(3) 0.7473(3) 0.29103(13) 0.0177(6) Uani 1 1 d . . . . .
H11C H -0.027005 0.719800 0.318496 0.021 Uiso 1 1 calc R U . . .
H11D H 0.030327 0.684952 0.259577 0.021 Uiso 1 1 calc R U . . .
C12A C 0.1765(3) 0.7626(3) 0.31893(12) 0.0156(5) Uani 1 1 d . . . . .
H12C H 0.208698 0.683998 0.331573 0.019 Uiso 1 1 calc R U . . .
H12D H 0.176425 0.819330 0.352457 0.019 Uiso 1 1 calc R U . . .
C13A C 0.2754(3) 0.8099(2) 0.27955(12) 0.0125(5) Uani 1 1 d . . . . .
C14A C 0.2168(3) 0.9287(2) 0.25686(12) 0.0138(5) Uani 1 1 d . . . . .
H14A H 0.213441 0.986369 0.290458 0.017 Uiso 1 1 calc R U . . .
C15A C 0.3113(3) 0.9867(3) 0.21947(12) 0.0156(5) Uani 1 1 d . . . . .
H15C H 0.321935 0.931836 0.186061 0.019 Uiso 1 1 calc R U . . .
H15D H 0.271558 1.062564 0.206587 0.019 Uiso 1 1 calc R U . . .
C18A C 0.2989(3) 0.7110(2) 0.23360(12) 0.0153(5) Uani 1 1 d . . . . .
H18D H 0.211876 0.684411 0.213937 0.023 Uiso 1 1 calc R U . . .
H18E H 0.343923 0.642634 0.250732 0.023 Uiso 1 1 calc R U . . .
H18F H 0.355669 0.743140 0.206889 0.023 Uiso 1 1 calc R U . . .
C16A C 0.4492(3) 1.0130(3) 0.25186(14) 0.0195(6) Uani 1 1 d . . . . .
H16C H 0.439376 1.077220 0.281692 0.023 Uiso 1 1 calc R U . . .
H16D H 0.510993 1.043499 0.226052 0.023 Uiso 1 1 calc R U . . .
C17A C 0.5127(3) 0.9027(3) 0.27856(13) 0.0163(5) Uani 1 1 d . . . . .
H17A H 0.534333 0.842275 0.248106 0.020 Uiso 1 1 calc R U . . .
C20A C 0.4106(3) 0.8474(2) 0.31291(12) 0.0131(5) Uani 1 1 d . . . . .
H20A H 0.392365 0.906571 0.344397 0.016 Uiso 1 1 calc R U . . .
C21A C 0.6433(3) 0.9401(3) 0.31435(15) 0.0231(6) Uani 1 1 d . . . . .
H21D H 0.622326 0.994117 0.346197 0.035 Uiso 1 1 calc R U . . .
H21E H 0.702858 0.981817 0.291650 0.035 Uiso 1 1 calc R U . . .
H21F H 0.688498 0.868413 0.328183 0.035 Uiso 1 1 calc R U . . .
C22A C 0.6495(3) 0.7014(3) 0.41994(12) 0.0173(6) Uani 1 1 d . . . . .
C23A C 0.7076(3) 0.5881(3) 0.41782(13) 0.0210(6) Uani 1 1 d . . . . .
H23A H 0.653277 0.518271 0.407618 0.025 Uiso 1 1 calc R U . . .
C24A C 0.8456(3) 0.5780(3) 0.43074(14) 0.0246(7) Uani 1 1 d . . . . .
H24A H 0.885171 0.500482 0.430001 0.030 Uiso 1 1 calc R U . . .
C25A C 0.9269(3) 0.6789(3) 0.44474(13) 0.0236(7) Uani 1 1 d . . . . .
C26A C 0.8668(4) 0.7921(3) 0.44745(14) 0.0258(7) Uani 1 1 d . . . . .
H26A H 0.921466 0.861848 0.457298 0.031 Uiso 1 1 calc R U . . .
C27A C 0.7278(3) 0.8040(3) 0.43589(14) 0.0229(6) Uani 1 1 d . . . . .
H27A H 0.687135 0.880894 0.438842 0.028 Uiso 1 1 calc R U . . .
C28A C 1.0773(4) 0.6661(4) 0.45655(16) 0.0349(9) Uani 1 1 d . . . . .
H28D H 1.096560 0.609301 0.485620 0.052 Uiso 1 1 calc R U . . .
H28E H 1.117729 0.744657 0.469478 0.052 Uiso 1 1 calc R U . . .
H28F H 1.115402 0.636026 0.422247 0.052 Uiso 1 1 calc R U . . .
C29A C -0.2002(3) 0.8293(5) 0.12250(16) 0.0409(11) Uani 1 1 d . . . . .
H29D H -0.208163 0.746369 0.133100 0.061 Uiso 1 1 calc R U . . .
H29E H -0.250755 0.837353 0.085881 0.061 Uiso 1 1 calc R U . . .
H29F H -0.237095 0.884363 0.150612 0.061 Uiso 1 1 calc R U . . .
C30A C -0.0051(5) 1.0278(3) 0.10183(16) 0.0368(9) Uani 1 1 d . . . . .
H30D H -0.044156 1.079608 0.130561 0.055 Uiso 1 1 calc R U . . .
H30E H -0.053876 1.038790 0.065149 0.055 Uiso 1 1 calc R U . . .
H30F H 0.090231 1.049370 0.101056 0.055 Uiso 1 1 calc R U . . .
C31A C 0.0596(3) 0.7670(3) 0.06454(12) 0.0179(6) Uani 1 1 d . . . . .
C32A C 0.2102(3) 0.8002(3) 0.06573(15) 0.0254(7) Uani 1 1 d . . . . .
H32D H 0.219177 0.884132 0.056712 0.038 Uiso 1 1 calc R U . . .
H32E H 0.251882 0.747519 0.038071 0.038 Uiso 1 1 calc R U . . .
H32F H 0.255340 0.789932 0.103161 0.038 Uiso 1 1 calc R U . . .
C33A C -0.0091(4) 0.7841(3) 0.00565(14) 0.0303(8) Uani 1 1 d . . . . .
H33D H -0.103793 0.758133 0.003543 0.045 Uiso 1 1 calc R U . . .
H33E H 0.037157 0.735736 -0.022119 0.045 Uiso 1 1 calc R U . . .
H33F H -0.004690 0.869183 -0.002058 0.045 Uiso 1 1 calc R U . . .
C34A C 0.0503(4) 0.6338(3) 0.07692(15) 0.0279(7) Uani 1 1 d . . . . .
H34D H 0.093534 0.622914 0.114600 0.042 Uiso 1 1 calc R U . . .
H34E H 0.096118 0.584551 0.049333 0.042 Uiso 1 1 calc R U . . .
H34F H -0.044797 0.609153 0.074709 0.042 Uiso 1 1 calc R U . . .
S1B S 0.03469(7) 0.19376(6) 0.39023(3) 0.01542(14) Uani 1 1 d . . . . .
Si1B Si -0.43621(8) 0.39880(7) 0.11072(3) 0.01489(15) Uani 1 1 d . . . . .
O1B O -0.3623(2) 0.36717(18) 0.17229(8) 0.0158(4) Uani 1 1 d . . . . .
O2B O 0.0200(2) 0.19426(18) 0.32404(8) 0.0140(4) Uani 1 1 d . . . . .
O3B O -0.0132(2) 0.0767(2) 0.40061(10) 0.0221(5) Uani 1 1 d . . . . .
O4B O -0.0262(2) 0.2995(2) 0.41384(9) 0.0229(5) Uani 1 1 d . . . . .
C18B C -0.1833(3) 0.1922(2) 0.22977(12) 0.0141(5) Uani 1 1 d . . . . .
H18G H -0.153236 0.121583 0.249591 0.021 Uiso 1 1 calc R U . . .
H18H H -0.136495 0.195662 0.195882 0.021 Uiso 1 1 calc R U . . .
H18I H -0.280921 0.186277 0.219362 0.021 Uiso 1 1 calc R U . . .
C8B C -0.3103(3) 0.4544(2) 0.21580(12) 0.0146(5) Uani 1 1 d . . . . .
H8B H -0.311088 0.535329 0.200134 0.018 Uiso 1 1 calc R U . . .
C9B C -0.4012(3) 0.4582(3) 0.26356(13) 0.0176(6) Uani 1 1 d . . . . .
H9BA H -0.373299 0.526424 0.290827 0.021 Uiso 1 1 calc R U . . .
H9BB H -0.495612 0.471476 0.248406 0.021 Uiso 1 1 calc R U . . .
C11B C -0.3937(3) 0.3416(3) 0.29334(12) 0.0172(6) Uani 1 1 d . . . . .
H11E H -0.430634 0.274437 0.267138 0.021 Uiso 1 1 calc R U . . .
H11F H -0.449427 0.348565 0.325317 0.021 Uiso 1 1 calc R U . . .
C12B C -0.2473(3) 0.3140(3) 0.31473(12) 0.0148(5) Uani 1 1 d . . . . .
H12E H -0.245624 0.236441 0.332619 0.018 Uiso 1 1 calc R U . . .
H12F H -0.214179 0.377404 0.343714 0.018 Uiso 1 1 calc R U . . .
C13B C -0.1510(3) 0.3067(2) 0.26812(11) 0.0116(5) Uani 1 1 d . . . . .
C14B C -0.1646(3) 0.4248(2) 0.23683(12) 0.0132(5) Uani 1 1 d . . . . .
H14B H -0.134263 0.491319 0.265402 0.016 Uiso 1 1 calc R U . . .
C15B C -0.0681(3) 0.4284(3) 0.19119(13) 0.0185(6) Uani 1 1 d . . . . .
H15E H -0.091575 0.362699 0.161993 0.022 Uiso 1 1 calc R U . . .
H15F H -0.077569 0.505879 0.173360 0.022 Uiso 1 1 calc R U . . .
C16B C 0.0776(3) 0.4144(3) 0.21599(14) 0.0199(6) Uani 1 1 d . . . . .
H16E H 0.104798 0.487397 0.240363 0.024 Uiso 1 1 calc R U . . .
H16F H 0.136709 0.408898 0.185110 0.024 Uiso 1 1 calc R U . . .
C17B C 0.1002(3) 0.3038(3) 0.25019(12) 0.0146(5) Uani 1 1 d . . . . .
H17B H 0.083806 0.229997 0.224301 0.017 Uiso 1 1 calc R U . . .
C20B C -0.0023(3) 0.3050(2) 0.29380(11) 0.0125(5) Uani 1 1 d . . . . .
H20B H 0.015548 0.376797 0.320860 0.015 Uiso 1 1 calc R U . . .
C21B C 0.2464(3) 0.3031(3) 0.27618(14) 0.0205(6) Uani 1 1 d . . . . .
H21G H 0.264790 0.376012 0.301009 0.031 Uiso 1 1 calc R U . . .
H21H H 0.307184 0.300874 0.246416 0.031 Uiso 1 1 calc R U . . .
H21I H 0.261053 0.232036 0.297803 0.031 Uiso 1 1 calc R U . . .
C22B C 0.2094(3) 0.2031(3) 0.40972(12) 0.0145(5) Uani 1 1 d . . . . .
C23B C 0.2829(3) 0.0987(3) 0.41643(12) 0.0169(6) Uani 1 1 d . . . . .
H23B H 0.239336 0.022163 0.411485 0.020 Uiso 1 1 calc R U . . .
C24B C 0.4212(3) 0.1080(3) 0.43051(13) 0.0180(6) Uani 1 1 d . . . . .
H24B H 0.471969 0.036821 0.435659 0.022 Uiso 1 1 calc R U . . .
C25B C 0.4879(3) 0.2196(3) 0.43731(12) 0.0173(6) Uani 1 1 d . . . . .
C26B C 0.4106(3) 0.3230(3) 0.43204(13) 0.0198(6) Uani 1 1 d . . . . .
H26B H 0.453646 0.399752 0.437752 0.024 Uiso 1 1 calc R U . . .
C27B C 0.2715(3) 0.3158(3) 0.41853(13) 0.0185(6) Uani 1 1 d . . . . .
H27B H 0.219703 0.386924 0.415375 0.022 Uiso 1 1 calc R U . . .
C28B C 0.6385(3) 0.2278(3) 0.45018(13) 0.0233(7) Uani 1 1 d . . . . .
H28G H 0.662231 0.216809 0.490030 0.035 Uiso 1 1 calc R U . . .
H28H H 0.670412 0.306959 0.441364 0.035 Uiso 1 1 calc R U . . .
H28I H 0.680963 0.164903 0.427556 0.035 Uiso 1 1 calc R U . . .
C29B C -0.3102(4) 0.4594(3) 0.06707(14) 0.0252(7) Uani 1 1 d . . . . .
H29G H -0.277408 0.538170 0.083620 0.038 Uiso 1 1 calc R U . . .
H29H H -0.352744 0.467853 0.029053 0.038 Uiso 1 1 calc R U . . .
H29I H -0.234221 0.403910 0.065608 0.038 Uiso 1 1 calc R U . . .
C30B C -0.5698(4) 0.5142(4) 0.11884(16) 0.0346(9) Uani 1 1 d . . . . .
H30G H -0.635685 0.485069 0.142683 0.052 Uiso 1 1 calc R U . . .
H30H H -0.615393 0.528629 0.081940 0.052 Uiso 1 1 calc R U . . .
H30I H -0.528442 0.589317 0.136155 0.052 Uiso 1 1 calc R U . . .
C31B C -0.5096(3) 0.2517(3) 0.07801(13) 0.0224(6) Uani 1 1 d . . . . .
C32B C -0.4003(4) 0.1549(3) 0.07725(16) 0.0314(8) Uani 1 1 d . . . . .
H32G H -0.327594 0.181153 0.055992 0.047 Uiso 1 1 calc R U . . .
H32H H -0.439698 0.079345 0.059537 0.047 Uiso 1 1 calc R U . . .
H32I H -0.363664 0.142470 0.115749 0.047 Uiso 1 1 calc R U . . .
C33B C -0.6208(4) 0.2085(4) 0.11202(18) 0.0413(10) Uani 1 1 d . . . . .
H33G H -0.655032 0.129797 0.095925 0.062 Uiso 1 1 calc R U . . .
H33H H -0.694572 0.266522 0.110927 0.062 Uiso 1 1 calc R U . . .
H33I H -0.583717 0.201534 0.150943 0.062 Uiso 1 1 calc R U . . .
C34B C -0.5692(4) 0.2672(4) 0.01773(15) 0.0310(8) Uani 1 1 d . . . . .
H34G H -0.496050 0.281724 -0.005580 0.047 Uiso 1 1 calc R U . . .
H34H H -0.630532 0.335837 0.017285 0.047 Uiso 1 1 calc R U . . .
H34I H -0.619012 0.194047 0.002928 0.047 Uiso 1 1 calc R U . . .
S1C S 0.51792(7) 0.09103(6) 0.60273(3) 0.01605(14) Uani 1 1 d . . . . .
Si1C Si 1.01995(8) 0.33266(8) 0.88170(3) 0.01749(17) Uani 1 1 d . . . . .
O1C O 0.9307(2) 0.29041(19) 0.82241(8) 0.0162(4) Uani 1 1 d . . . . .
O2C O 0.5205(2) 0.13688(18) 0.66646(9) 0.0165(4) Uani 1 1 d . . . . .
O3C O 0.5832(2) 0.1781(2) 0.57339(9) 0.0222(5) Uani 1 1 d . . . . .
O4C O 0.5666(2) -0.0297(2) 0.60190(11) 0.0264(5) Uani 1 1 d . . . . .
C18C C 0.6993(3) 0.1412(3) 0.76841(12) 0.0163(6) Uani 1 1 d . . . . .
H18J H 0.643905 0.181393 0.795492 0.024 Uiso 1 1 calc R U . . .
H18K H 0.786807 0.120577 0.787535 0.024 Uiso 1 1 calc R U . . .
H18L H 0.653230 0.067629 0.751686 0.024 Uiso 1 1 calc R U . . .
C8C C 0.9263(3) 0.3486(3) 0.77078(12) 0.0147(5) Uani 1 1 d . . . . .
H8C H 0.959275 0.433343 0.779343 0.018 Uiso 1 1 calc R U . . .
C9C C 1.0186(3) 0.2851(3) 0.73119(13) 0.0182(6) Uani 1 1 d . . . . .
H9CA H 1.027268 0.334594 0.699032 0.022 Uiso 1 1 calc R U . . .
H9CB H 1.109520 0.277052 0.751146 0.022 Uiso 1 1 calc R U . . .
C11C C 0.9641(3) 0.1605(3) 0.70957(13) 0.0183(6) Uani 1 1 d . . . . .
H11G H 0.967112 0.107566 0.741105 0.022 Uiso 1 1 calc R U . . .
H11H H 1.022405 0.125097 0.681774 0.022 Uiso 1 1 calc R U . . .
C12C C 0.8190(3) 0.1663(3) 0.68239(12) 0.0159(5) Uani 1 1 d . . . . .
H12G H 0.786377 0.083665 0.670406 0.019 Uiso 1 1 calc R U . . .
H12H H 0.818081 0.212221 0.648502 0.019 Uiso 1 1 calc R U . . .
C13C C 0.7214(3) 0.2261(2) 0.72208(12) 0.0135(5) Uani 1 1 d . . . . .
C14C C 0.7808(3) 0.3515(2) 0.74413(12) 0.0135(5) Uani 1 1 d . . . . .
H14C H 0.783473 0.398662 0.710294 0.016 Uiso 1 1 calc R U . . .
C15C C 0.6880(3) 0.4210(3) 0.78156(12) 0.0156(5) Uani 1 1 d . . . . .
H15G H 0.728614 0.500728 0.794031 0.019 Uiso 1 1 calc R U . . .
H15H H 0.677821 0.376527 0.815224 0.019 Uiso 1 1 calc R U . . .
C16C C 0.5494(3) 0.4374(3) 0.74971(14) 0.0195(6) Uani 1 1 d . . . . .
H16G H 0.558710 0.492619 0.719694 0.023 Uiso 1 1 calc R U . . .
H16H H 0.488474 0.475649 0.775758 0.023 Uiso 1 1 calc R U . . .
C17C C 0.4848(3) 0.3189(3) 0.72348(13) 0.0167(6) Uani 1 1 d . . . . .
H17C H 0.463094 0.268092 0.754229 0.020 Uiso 1 1 calc R U . . .
C20C C 0.5857(3) 0.2522(2) 0.68914(12) 0.0127(5) Uani 1 1 d . . . . .
H20C H 0.603186 0.300831 0.657091 0.015 Uiso 1 1 calc R U . . .
C21C C 0.3543(3) 0.3448(3) 0.68792(15) 0.0242(7) Uani 1 1 d . . . . .
H21J H 0.374642 0.392101 0.656795 0.036 Uiso 1 1 calc R U . . .
H21K H 0.293541 0.390310 0.711052 0.036 Uiso 1 1 calc R U . . .
H21L H 0.310656 0.268739 0.673033 0.036 Uiso 1 1 calc R U . . .
C22C C 0.3438(3) 0.0876(3) 0.58075(12) 0.0170(6) Uani 1 1 d . . . . .
C23C C 0.2814(3) 0.1910(3) 0.56231(13) 0.0212(6) Uani 1 1 d . . . . .
H23C H 0.333285 0.261469 0.559028 0.025 Uiso 1 1 calc R U . . .
C24C C 0.1435(4) 0.1905(3) 0.54880(14) 0.0244(7) Uani 1 1 d . . . . .
H24C H 0.100601 0.261460 0.536574 0.029 Uiso 1 1 calc R U . . .
C25C C 0.0661(3) 0.0873(3) 0.55284(13) 0.0240(7) Uani 1 1 d . . . . .
C26C C 0.1316(4) -0.0167(3) 0.56983(14) 0.0245(7) Uani 1 1 d . . . . .
H26C H 0.080442 -0.088249 0.571749 0.029 Uiso 1 1 calc R U . . .
C27C C 0.2703(3) -0.0172(3) 0.58397(13) 0.0207(6) Uani 1 1 d . . . . .
H27C H 0.314022 -0.088149 0.595651 0.025 Uiso 1 1 calc R U . . .
C28C C -0.0847(4) 0.0878(4) 0.53837(15) 0.0342(9) Uani 1 1 d . . . . .
H28J H -0.120207 0.166618 0.549945 0.051 Uiso 1 1 calc R U . . .
H28K H -0.126584 0.025300 0.557926 0.051 Uiso 1 1 calc R U . . .
H28L H -0.105353 0.071899 0.497834 0.051 Uiso 1 1 calc R U . . .
C29C C 1.0055(5) 0.4985(3) 0.89835(16) 0.0358(9) Uani 1 1 d . . . . .
H29J H 1.049744 0.542128 0.871006 0.054 Uiso 1 1 calc R U . . .
H29K H 1.049184 0.519834 0.936055 0.054 Uiso 1 1 calc R U . . .
H29L H 0.909980 0.520348 0.896704 0.054 Uiso 1 1 calc R U . . .
C30C C 1.2012(4) 0.2942(5) 0.87713(16) 0.0402(10) Uani 1 1 d . . . . .
H30J H 1.207884 0.210298 0.862622 0.060 Uiso 1 1 calc R U . . .
H30K H 1.250460 0.305015 0.914471 0.060 Uiso 1 1 calc R U . . .
H30L H 1.240242 0.347181 0.851883 0.060 Uiso 1 1 calc R U . . .
C31C C 0.9418(3) 0.2481(3) 0.93589(12) 0.0183(6) Uani 1 1 d . . . . .
C32C C 0.7912(3) 0.2792(3) 0.93477(14) 0.0248(7) Uani 1 1 d . . . . .
H32J H 0.750738 0.237082 0.963619 0.037 Uiso 1 1 calc R U . . .
H32K H 0.745186 0.254175 0.897870 0.037 Uiso 1 1 calc R U . . .
H32L H 0.781576 0.366259 0.942095 0.037 Uiso 1 1 calc R U . . .
C33C C 0.9527(4) 0.1116(3) 0.92350(15) 0.0266(7) Uani 1 1 d . . . . .
H33J H 0.908072 0.069583 0.951285 0.040 Uiso 1 1 calc R U . . .
H33K H 1.048015 0.089101 0.925364 0.040 Uiso 1 1 calc R U . . .
H33L H 0.908864 0.088896 0.885950 0.040 Uiso 1 1 calc R U . . .
C34C C 1.0111(4) 0.2836(4) 0.99468(14) 0.0305(8) Uani 1 1 d . . . . .
H34J H 1.001623 0.370292 1.003133 0.046 Uiso 1 1 calc R U . . .
H34K H 1.107144 0.263608 0.995974 0.046 Uiso 1 1 calc R U . . .
H34L H 0.968893 0.239510 1.022429 0.046 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
O2 S1 C22 104.44(13) . . ?
O3 S1 O2 104.73(14) . . ?
O3 S1 C22 108.97(15) . . ?
O4 S1 O2 109.18(13) . . ?
O4 S1 O3 120.29(17) . . ?
O4 S1 C22 108.11(15) . . ?
O1 Si1 C29 110.43(14) . . ?
O1 Si1 C30 111.27(14) . . ?
O1 Si1 C31 104.72(13) . . ?
C29 Si1 C30 107.92(19) . . ?
C29 Si1 C31 110.90(15) . . ?
C30 Si1 C31 111.63(17) . . ?
C8 O1 Si1 124.36(18) . . ?
C20 O2 S1 122.41(18) . . ?
O1 C8 H8 108.5 . . ?
O1 C8 C9 109.7(2) . . ?
O1 C8 C14 110.4(2) . . ?
C9 C8 H8 108.5 . . ?
C9 C8 C14 111.3(2) . . ?
C14 C8 H8 108.5 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C11 C9 C8 111.5(2) . . ?
C11 C9 H9A 109.3 . . ?
C11 C9 H9B 109.3 . . ?
C9 C11 H11A 109.4 . . ?
C9 C11 H11B 109.4 . . ?
C9 C11 C12 111.4(3) . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
C11 C12 C13 113.1(2) . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C12 C13 C14 108.4(2) . . ?
C12 C13 C20 110.2(2) . . ?
C20 C13 C14 105.0(2) . . ?
C18 C13 C12 109.2(2) . . ?
C18 C13 C14 113.8(2) . . ?
C18 C13 C20 110.1(2) . . ?
C8 C14 C13 114.0(2) . . ?
C8 C14 H14 105.6 . . ?
C13 C14 H14 105.6 . . ?
C15 C14 C8 112.7(2) . . ?
C15 C14 C13 112.5(2) . . ?
C15 C14 H14 105.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 C16 110.6(3) . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C15 C16 H16A 108.8 . . ?
C15 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 C15 113.7(2) . . ?
C17 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
C16 C17 H17 108.4 . . ?
C16 C17 C20 109.1(2) . . ?
C16 C17 C21 110.0(2) . . ?
C20 C17 H17 108.4 . . ?
C20 C17 C21 112.5(2) . . ?
C21 C17 H17 108.4 . . ?
O2 C20 C13 109.1(2) . . ?
O2 C20 C17 107.4(2) . . ?
O2 C20 H20 108.8 . . ?
C13 C20 H20 108.8 . . ?
C17 C20 C13 113.9(2) . . ?
C17 C20 H20 108.8 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 S1 119.6(2) . . ?
C23 C22 C27 121.1(3) . . ?
C27 C22 S1 119.3(2) . . ?
C22 C23 H23 120.6 . . ?
C22 C23 C24 118.8(3) . . ?
C24 C23 H23 120.6 . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.1(3) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C28 120.5(3) . . ?
C26 C25 C24 118.8(3) . . ?
C26 C25 C28 120.7(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.2(3) . . ?
C27 C26 H26 119.4 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C27 H27 120.5 . . ?
C26 C27 C22 118.9(3) . . ?
C26 C27 H27 120.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Si1 109.3(2) . . ?
C33 C31 Si1 109.6(2) . . ?
C33 C31 C32 109.0(3) . . ?
C34 C31 Si1 110.6(2) . . ?
C34 C31 C32 109.2(3) . . ?
C34 C31 C33 109.1(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O2A S1A C22A 101.29(13) . . ?
O3A S1A O2A 106.22(13) . . ?
O3A S1A O4A 119.56(15) . . ?
O3A S1A C22A 108.35(14) . . ?
O4A S1A O2A 109.76(12) . . ?
O4A S1A C22A 110.05(14) . . ?
O1A Si1A C29A 109.89(16) . . ?
O1A Si1A C30A 111.07(16) . . ?
O1A Si1A C31A 104.63(13) . . ?
C29A Si1A C30A 108.9(2) . . ?
C29A Si1A C31A 112.44(17) . . ?
C30A Si1A C31A 109.85(16) . . ?
C8A O1A Si1A 126.78(18) . . ?
C20A O2A S1A 122.60(17) . . ?
O1A C8A H8A 108.2 . . ?
O1A C8A C9A 110.9(2) . . ?
O1A C8A C14A 109.7(2) . . ?
C9A C8A H8A 108.2 . . ?
C9A C8A C14A 111.4(2) . . ?
C14A C8A H8A 108.2 . . ?
C8A C9A H9AA 109.3 . . ?
C8A C9A H9AB 109.3 . . ?
C8A C9A C11A 111.6(2) . . ?
H9AA C9A H9AB 108.0 . . ?
C11A C9A H9AA 109.3 . . ?
C11A C9A H9AB 109.3 . . ?
C9A C11A H11C 109.4 . . ?
C9A C11A H11D 109.4 . . ?
H11C C11A H11D 108.0 . . ?
C12A C11A C9A 111.3(2) . . ?
C12A C11A H11C 109.4 . . ?
C12A C11A H11D 109.4 . . ?
C11A C12A H12C 109.0 . . ?
C11A C12A H12D 109.0 . . ?
C11A C12A C13A 112.9(2) . . ?
H12C C12A H12D 107.8 . . ?
C13A C12A H12C 109.0 . . ?
C13A C12A H12D 109.0 . . ?
C12A C13A C14A 107.9(2) . . ?
C18A C13A C12A 109.5(2) . . ?
C18A C13A C14A 114.2(2) . . ?
C20A C13A C12A 110.3(2) . . ?
C20A C13A C14A 104.8(2) . . ?
C20A C13A C18A 109.9(2) . . ?
C8A C14A C13A 114.0(2) . . ?
C8A C14A H14A 105.8 . . ?
C8A C14A C15A 112.5(2) . . ?
C13A C14A H14A 105.8 . . ?
C15A C14A C13A 112.1(2) . . ?
C15A C14A H14A 105.8 . . ?
C14A C15A H15C 109.6 . . ?
C14A C15A H15D 109.6 . . ?
H15C C15A H15D 108.1 . . ?
C16A C15A C14A 110.2(2) . . ?
C16A C15A H15C 109.6 . . ?
C16A C15A H15D 109.6 . . ?
C13A C18A H18D 109.5 . . ?
C13A C18A H18E 109.5 . . ?
C13A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C15A C16A H16C 108.9 . . ?
C15A C16A H16D 108.9 . . ?
C15A C16A C17A 113.5(2) . . ?
H16C C16A H16D 107.7 . . ?
C17A C16A H16C 108.9 . . ?
C17A C16A H16D 108.9 . . ?
C16A C17A H17A 108.8 . . ?
C20A C17A C16A 108.7(2) . . ?
C20A C17A H17A 108.8 . . ?
C20A C17A C21A 111.9(2) . . ?
C21A C17A C16A 109.6(2) . . ?
C21A C17A H17A 108.8 . . ?
O2A C20A C13A 109.1(2) . . ?
O2A C20A C17A 106.9(2) . . ?
O2A C20A H20A 108.7 . . ?
C13A C20A H20A 108.7 . . ?
C17A C20A C13A 114.6(2) . . ?
C17A C20A H20A 108.7 . . ?
C17A C21A H21D 109.5 . . ?
C17A C21A H21E 109.5 . . ?
C17A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C23A C22A S1A 119.4(2) . . ?
C23A C22A C27A 120.8(3) . . ?
C27A C22A S1A 119.8(2) . . ?
C22A C23A H23A 120.3 . . ?
C24A C23A C22A 119.3(3) . . ?
C24A C23A H23A 120.3 . . ?
C23A C24A H24A 119.4 . . ?
C23A C24A C25A 121.2(3) . . ?
C25A C24A H24A 119.4 . . ?
C24A C25A C26A 118.8(3) . . ?
C24A C25A C28A 120.3(3) . . ?
C26A C25A C28A 120.9(3) . . ?
C25A C26A H26A 119.6 . . ?
C27A C26A C25A 120.9(3) . . ?
C27A C26A H26A 119.6 . . ?
C22A C27A C26A 118.9(3) . . ?
C22A C27A H27A 120.5 . . ?
C26A C27A H27A 120.5 . . ?
C25A C28A H28D 109.5 . . ?
C25A C28A H28E 109.5 . . ?
C25A C28A H28F 109.5 . . ?
H28D C28A H28E 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
Si1A C29A H29D 109.5 . . ?
Si1A C29A H29E 109.5 . . ?
Si1A C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
Si1A C30A H30D 109.5 . . ?
Si1A C30A H30E 109.5 . . ?
Si1A C30A H30F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
C32A C31A Si1A 109.2(2) . . ?
C33A C31A Si1A 110.6(2) . . ?
C33A C31A C32A 108.6(3) . . ?
C33A C31A C34A 109.4(3) . . ?
C34A C31A Si1A 111.4(2) . . ?
C34A C31A C32A 107.7(3) . . ?
C31A C32A H32D 109.5 . . ?
C31A C32A H32E 109.5 . . ?
C31A C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C31A C33A H33D 109.5 . . ?
C31A C33A H33E 109.5 . . ?
C31A C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C31A C34A H34D 109.5 . . ?
C31A C34A H34E 109.5 . . ?
C31A C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
O2B S1B C22B 104.82(13) . . ?
O3B S1B O2B 103.94(12) . . ?
O3B S1B O4B 120.21(15) . . ?
O3B S1B C22B 109.00(14) . . ?
O4B S1B O2B 109.71(13) . . ?
O4B S1B C22B 108.11(14) . . ?
O1B Si1B C29B 110.30(14) . . ?
O1B Si1B C30B 110.84(14) . . ?
O1B Si1B C31B 105.20(13) . . ?
C29B Si1B C30B 108.17(19) . . ?
C29B Si1B C31B 110.83(15) . . ?
C30B Si1B C31B 111.52(18) . . ?
C8B O1B Si1B 125.17(18) . . ?
C20B O2B S1B 123.25(17) . . ?
H18G C18B H18H 109.5 . . ?
H18G C18B H18I 109.5 . . ?
H18H C18B H18I 109.5 . . ?
C13B C18B H18G 109.5 . . ?
C13B C18B H18H 109.5 . . ?
C13B C18B H18I 109.5 . . ?
O1B C8B H8B 108.6 . . ?
O1B C8B C9B 109.5(2) . . ?
O1B C8B C14B 110.5(2) . . ?
C9B C8B H8B 108.6 . . ?
C9B C8B C14B 111.0(2) . . ?
C14B C8B H8B 108.6 . . ?
C8B C9B H9BA 109.3 . . ?
C8B C9B H9BB 109.3 . . ?
H9BA C9B H9BB 108.0 . . ?
C11B C9B C8B 111.4(2) . . ?
C11B C9B H9BA 109.3 . . ?
C11B C9B H9BB 109.3 . . ?
C9B C11B H11E 109.4 . . ?
C9B C11B H11F 109.4 . . ?
C9B C11B C12B 111.0(2) . . ?
H11E C11B H11F 108.0 . . ?
C12B C11B H11E 109.4 . . ?
C12B C11B H11F 109.4 . . ?
C11B C12B H12E 108.9 . . ?
C11B C12B H12F 108.9 . . ?
C11B C12B C13B 113.3(2) . . ?
H12E C12B H12F 107.7 . . ?
C13B C12B H12E 108.9 . . ?
C13B C12B H12F 108.9 . . ?
C18B C13B C12B 109.2(2) . . ?
C18B C13B C14B 113.6(2) . . ?
C18B C13B C20B 109.9(2) . . ?
C12B C13B C14B 108.3(2) . . ?
C12B C13B C20B 110.5(2) . . ?
C20B C13B C14B 105.3(2) . . ?
C8B C14B C13B 113.8(2) . . ?
C8B C14B H14B 105.7 . . ?
C13B C14B H14B 105.7 . . ?
C15B C14B C8B 112.8(2) . . ?
C15B C14B C13B 112.2(2) . . ?
C15B C14B H14B 105.7 . . ?
C14B C15B H15E 109.5 . . ?
C14B C15B H15F 109.5 . . ?
H15E C15B H15F 108.1 . . ?
C16B C15B C14B 110.5(2) . . ?
C16B C15B H15E 109.5 . . ?
C16B C15B H15F 109.5 . . ?
C15B C16B H16E 108.8 . . ?
C15B C16B H16F 108.8 . . ?
C15B C16B C17B 113.8(2) . . ?
H16E C16B H16F 107.7 . . ?
C17B C16B H16E 108.8 . . ?
C17B C16B H16F 108.8 . . ?
C16B C17B H17B 108.5 . . ?
C20B C17B C16B 108.8(2) . . ?
C20B C17B H17B 108.5 . . ?
C21B C17B C16B 109.5(2) . . ?
C21B C17B H17B 108.5 . . ?
C21B C17B C20B 113.1(2) . . ?
O2B C20B C13B 108.9(2) . . ?
O2B C20B C17B 106.7(2) . . ?
O2B C20B H20B 109.1 . . ?
C13B C20B H20B 109.1 . . ?
C17B C20B C13B 113.7(2) . . ?
C17B C20B H20B 109.1 . . ?
C17B C21B H21G 109.5 . . ?
C17B C21B H21H 109.5 . . ?
C17B C21B H21I 109.5 . . ?
H21G C21B H21H 109.5 . . ?
H21G C21B H21I 109.5 . . ?
H21H C21B H21I 109.5 . . ?
C23B C22B S1B 119.8(2) . . ?
C23B C22B C27B 121.1(3) . . ?
C27B C22B S1B 119.2(2) . . ?
C22B C23B H23B 120.6 . . ?
C22B C23B C24B 118.8(3) . . ?
C24B C23B H23B 120.6 . . ?
C23B C24B H24B 119.2 . . ?
C23B C24B C25B 121.6(3) . . ?
C25B C24B H24B 119.2 . . ?
C24B C25B C28B 120.9(3) . . ?
C26B C25B C24B 118.2(3) . . ?
C26B C25B C28B 120.9(3) . . ?
C25B C26B H26B 119.4 . . ?
C27B C26B C25B 121.1(3) . . ?
C27B C26B H26B 119.4 . . ?
C22B C27B C26B 119.1(3) . . ?
C22B C27B H27B 120.4 . . ?
C26B C27B H27B 120.4 . . ?
C25B C28B H28G 109.5 . . ?
C25B C28B H28H 109.5 . . ?
C25B C28B H28I 109.5 . . ?
H28G C28B H28H 109.5 . . ?
H28G C28B H28I 109.5 . . ?
H28H C28B H28I 109.5 . . ?
Si1B C29B H29G 109.5 . . ?
Si1B C29B H29H 109.5 . . ?
Si1B C29B H29I 109.5 . . ?
H29G C29B H29H 109.5 . . ?
H29G C29B H29I 109.5 . . ?
H29H C29B H29I 109.5 . . ?
Si1B C30B H30G 109.5 . . ?
Si1B C30B H30H 109.5 . . ?
Si1B C30B H30I 109.5 . . ?
H30G C30B H30H 109.5 . . ?
H30G C30B H30I 109.5 . . ?
H30H C30B H30I 109.5 . . ?
C32B C31B Si1B 110.5(2) . . ?
C33B C31B Si1B 110.0(3) . . ?
C33B C31B C32B 108.1(3) . . ?
C34B C31B Si1B 110.0(2) . . ?
C34B C31B C32B 108.9(3) . . ?
C34B C31B C33B 109.3(3) . . ?
C31B C32B H32G 109.5 . . ?
C31B C32B H32H 109.5 . . ?
C31B C32B H32I 109.5 . . ?
H32G C32B H32H 109.5 . . ?
H32G C32B H32I 109.5 . . ?
H32H C32B H32I 109.5 . . ?
C31B C33B H33G 109.5 . . ?
C31B C33B H33H 109.5 . . ?
C31B C33B H33I 109.5 . . ?
H33G C33B H33H 109.5 . . ?
H33G C33B H33I 109.5 . . ?
H33H C33B H33I 109.5 . . ?
C31B C34B H34G 109.5 . . ?
C31B C34B H34H 109.5 . . ?
C31B C34B H34I 109.5 . . ?
H34G C34B H34H 109.5 . . ?
H34G C34B H34I 109.5 . . ?
H34H C34B H34I 109.5 . . ?
O2C S1C C22C 102.23(13) . . ?
O3C S1C O2C 109.18(12) . . ?
O3C S1C O4C 119.42(15) . . ?
O3C S1C C22C 109.43(15) . . ?
O4C S1C O2C 106.37(13) . . ?
O4C S1C C22C 108.82(15) . . ?
O1C Si1C C29C 110.93(16) . . ?
O1C Si1C C30C 109.96(15) . . ?
O1C Si1C C31C 104.42(12) . . ?
C29C Si1C C31C 109.75(16) . . ?
C30C Si1C C29C 109.3(2) . . ?
C30C Si1C C31C 112.47(17) . . ?
C8C O1C Si1C 126.83(18) . . ?
C20C O2C S1C 122.45(17) . . ?
H18J C18C H18K 109.5 . . ?
H18J C18C H18L 109.5 . . ?
H18K C18C H18L 109.5 . . ?
C13C C18C H18J 109.5 . . ?
C13C C18C H18K 109.5 . . ?
C13C C18C H18L 109.5 . . ?
O1C C8C H8C 108.4 . . ?
O1C C8C C9C 110.5(2) . . ?
O1C C8C C14C 109.6(2) . . ?
C9C C8C H8C 108.4 . . ?
C9C C8C C14C 111.5(2) . . ?
C14C C8C H8C 108.4 . . ?
C8C C9C H9CA 109.3 . . ?
C8C C9C H9CB 109.3 . . ?
H9CA C9C H9CB 107.9 . . ?
C11C C9C C8C 111.7(2) . . ?
C11C C9C H9CA 109.3 . . ?
C11C C9C H9CB 109.3 . . ?
C9C C11C H11G 109.3 . . ?
C9C C11C H11H 109.3 . . ?
C9C C11C C12C 111.6(2) . . ?
H11G C11C H11H 108.0 . . ?
C12C C11C H11G 109.3 . . ?
C12C C11C H11H 109.3 . . ?
C11C C12C H12G 109.0 . . ?
C11C C12C H12H 109.0 . . ?
C11C C12C C13C 113.0(2) . . ?
H12G C12C H12H 107.8 . . ?
C13C C12C H12G 109.0 . . ?
C13C C12C H12H 109.0 . . ?
C18C C13C C12C 109.1(2) . . ?
C18C C13C C14C 114.2(2) . . ?
C12C C13C C14C 108.1(2) . . ?
C20C C13C C18C 109.9(2) . . ?
C20C C13C C12C 110.2(2) . . ?
C20C C13C C14C 105.2(2) . . ?
C8C C14C C13C 114.1(2) . . ?
C8C C14C H14C 105.7 . . ?
C13C C14C H14C 105.7 . . ?
C15C C14C C8C 112.5(2) . . ?
C15C C14C C13C 112.2(2) . . ?
C15C C14C H14C 105.7 . . ?
C14C C15C H15G 109.6 . . ?
C14C C15C H15H 109.6 . . ?
C14C C15C C16C 110.4(2) . . ?
H15G C15C H15H 108.1 . . ?
C16C C15C H15G 109.6 . . ?
C16C C15C H15H 109.6 . . ?
C15C C16C H16G 108.9 . . ?
C15C C16C H16H 108.9 . . ?
C15C C16C C17C 113.3(2) . . ?
H16G C16C H16H 107.7 . . ?
C17C C16C H16G 108.9 . . ?
C17C C16C H16H 108.9 . . ?
C16C C17C H17C 108.7 . . ?
C20C C17C C16C 109.0(2) . . ?
C20C C17C H17C 108.7 . . ?
C21C C17C C16C 109.7(3) . . ?
C21C C17C H17C 108.7 . . ?
C21C C17C C20C 111.9(2) . . ?
O2C C20C C13C 109.2(2) . . ?
O2C C20C C17C 106.9(2) . . ?
O2C C20C H20C 108.6 . . ?
C13C C20C H20C 108.6 . . ?
C17C C20C C13C 114.7(2) . . ?
C17C C20C H20C 108.6 . . ?
C17C C21C H21J 109.5 . . ?
C17C C21C H21K 109.5 . . ?
C17C C21C H21L 109.5 . . ?
H21J C21C H21K 109.5 . . ?
H21J C21C H21L 109.5 . . ?
H21K C21C H21L 109.5 . . ?
C23C C22C S1C 119.6(2) . . ?
C27C C22C S1C 119.4(2) . . ?
C27C C22C C23C 121.0(3) . . ?
C22C C23C H23C 120.3 . . ?
C24C C23C C22C 119.5(3) . . ?
C24C C23C H23C 120.3 . . ?
C23C C24C H24C 119.5 . . ?
C23C C24C C25C 120.9(3) . . ?
C25C C24C H24C 119.5 . . ?
C24C C25C C26C 118.6(3) . . ?
C24C C25C C28C 120.6(3) . . ?
C26C C25C C28C 120.8(3) . . ?
C25C C26C H26C 119.5 . . ?
C27C C26C C25C 121.0(3) . . ?
C27C C26C H26C 119.5 . . ?
C22C C27C C26C 119.0(3) . . ?
C22C C27C H27C 120.5 . . ?
C26C C27C H27C 120.5 . . ?
C25C C28C H28J 109.5 . . ?
C25C C28C H28K 109.5 . . ?
C25C C28C H28L 109.5 . . ?
H28J C28C H28K 109.5 . . ?
H28J C28C H28L 109.5 . . ?
H28K C28C H28L 109.5 . . ?
Si1C C29C H29J 109.5 . . ?
Si1C C29C H29K 109.5 . . ?
Si1C C29C H29L 109.5 . . ?
H29J C29C H29K 109.5 . . ?
H29J C29C H29L 109.5 . . ?
H29K C29C H29L 109.5 . . ?
Si1C C30C H30J 109.5 . . ?
Si1C C30C H30K 109.5 . . ?
Si1C C30C H30L 109.5 . . ?
H30J C30C H30K 109.5 . . ?
H30J C30C H30L 109.5 . . ?
H30K C30C H30L 109.5 . . ?
C32C C31C Si1C 109.3(2) . . ?
C33C C31C Si1C 111.0(2) . . ?
C33C C31C C32C 108.0(3) . . ?
C33C C31C C34C 109.4(3) . . ?
C34C C31C Si1C 110.4(2) . . ?
C34C C31C C32C 108.8(3) . . ?
C31C C32C H32J 109.5 . . ?
C31C C32C H32K 109.5 . . ?
C31C C32C H32L 109.5 . . ?
H32J C32C H32K 109.5 . . ?
H32J C32C H32L 109.5 . . ?
H32K C32C H32L 109.5 . . ?
C31C C33C H33J 109.5 . . ?
C31C C33C H33K 109.5 . . ?
C31C C33C H33L 109.5 . . ?
H33J C33C H33K 109.5 . . ?
H33J C33C H33L 109.5 . . ?
H33K C33C H33L 109.5 . . ?
C31C C34C H34J 109.5 . . ?
C31C C34C H34K 109.5 . . ?
C31C C34C H34L 109.5 . . ?
H34J C34C H34K 109.5 . . ?
H34J C34C H34L 109.5 . . ?
H34K C34C H34L 109.5 . . ?
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
S1 O2 1.585(2) . ?
S1 O3 1.425(3) . ?
S1 O4 1.424(3) . ?
S1 C22 1.759(3) . ?
Si1 O1 1.650(2) . ?
Si1 C29 1.867(3) . ?
Si1 C30 1.868(4) . ?
Si1 C31 1.886(3) . ?
O1 C8 1.438(3) . ?
O2 C20 1.481(3) . ?
C8 H8 1.0000 . ?
C8 C9 1.527(4) . ?
C8 C14 1.532(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C11 1.520(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.530(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.543(4) . ?
C13 C14 1.555(4) . ?
C13 C20 1.545(4) . ?
C13 C18 1.529(4) . ?
C14 H14 1.0000 . ?
C14 C15 1.525(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.533(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.530(4) . ?
C17 H17 1.0000 . ?
C17 C20 1.531(4) . ?
C17 C21 1.532(4) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.387(4) . ?
C22 C27 1.393(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.395(4) . ?
C25 C26 1.387(4) . ?
C25 C28 1.507(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.384(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.543(4) . ?
C31 C33 1.538(5) . ?
C31 C34 1.534(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
S1A O2A 1.579(2) . ?
S1A O3A 1.429(2) . ?
S1A O4A 1.431(2) . ?
S1A C22A 1.754(3) . ?
Si1A O1A 1.643(2) . ?
Si1A C29A 1.862(4) . ?
Si1A C30A 1.868(4) . ?
Si1A C31A 1.883(3) . ?
O1A C8A 1.436(3) . ?
O2A C20A 1.483(3) . ?
C8A H8A 1.0000 . ?
C8A C9A 1.524(4) . ?
C8A C14A 1.527(4) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C9A C11A 1.530(4) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C11A C12A 1.528(4) . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
C12A C13A 1.545(4) . ?
C13A C14A 1.560(4) . ?
C13A C18A 1.541(4) . ?
C13A C20A 1.539(4) . ?
C14A H14A 1.0000 . ?
C14A C15A 1.532(4) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C15A C16A 1.528(4) . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C16A C17A 1.534(4) . ?
C17A H17A 1.0000 . ?
C17A C20A 1.525(4) . ?
C17A C21A 1.528(4) . ?
C20A H20A 1.0000 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C22A C23A 1.391(4) . ?
C22A C27A 1.391(4) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.385(5) . ?
C24A H24A 0.9500 . ?
C24A C25A 1.386(5) . ?
C25A C26A 1.397(5) . ?
C25A C28A 1.505(5) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.393(5) . ?
C27A H27A 0.9500 . ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C31A C32A 1.540(4) . ?
C31A C33A 1.535(4) . ?
C31A C34A 1.537(4) . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
S1B O2B 1.584(2) . ?
S1B O3B 1.433(2) . ?
S1B O4B 1.434(2) . ?
S1B C22B 1.757(3) . ?
Si1B O1B 1.648(2) . ?
Si1B C29B 1.864(3) . ?
Si1B C30B 1.867(4) . ?
Si1B C31B 1.882(3) . ?
O1B C8B 1.435(3) . ?
O2B C20B 1.480(3) . ?
C18B H18G 0.9800 . ?
C18B H18H 0.9800 . ?
C18B H18I 0.9800 . ?
C18B C13B 1.536(4) . ?
C8B H8B 1.0000 . ?
C8B C9B 1.527(4) . ?
C8B C14B 1.534(4) . ?
C9B H9BA 0.9900 . ?
C9B H9BB 0.9900 . ?
C9B C11B 1.523(4) . ?
C11B H11E 0.9900 . ?
C11B H11F 0.9900 . ?
C11B C12B 1.536(4) . ?
C12B H12E 0.9900 . ?
C12B H12F 0.9900 . ?
C12B C13B 1.542(4) . ?
C13B C14B 1.559(4) . ?
C13B C20B 1.549(4) . ?
C14B H14B 1.0000 . ?
C14B C15B 1.529(4) . ?
C15B H15E 0.9900 . ?
C15B H15F 0.9900 . ?
C15B C16B 1.526(4) . ?
C16B H16E 0.9900 . ?
C16B H16F 0.9900 . ?
C16B C17B 1.532(4) . ?
C17B H17B 1.0000 . ?
C17B C20B 1.532(4) . ?
C17B C21B 1.527(4) . ?
C20B H20B 1.0000 . ?
C21B H21G 0.9800 . ?
C21B H21H 0.9800 . ?
C21B H21I 0.9800 . ?
C22B C23B 1.386(4) . ?
C22B C27B 1.392(4) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.388(4) . ?
C24B H24B 0.9500 . ?
C24B C25B 1.399(4) . ?
C25B C26B 1.393(4) . ?
C25B C28B 1.502(4) . ?
C26B H26B 0.9500 . ?
C26B C27B 1.392(4) . ?
C27B H27B 0.9500 . ?
C28B H28G 0.9800 . ?
C28B H28H 0.9800 . ?
C28B H28I 0.9800 . ?
C29B H29G 0.9800 . ?
C29B H29H 0.9800 . ?
C29B H29I 0.9800 . ?
C30B H30G 0.9800 . ?
C30B H30H 0.9800 . ?
C30B H30I 0.9800 . ?
C31B C32B 1.535(5) . ?
C31B C33B 1.533(5) . ?
C31B C34B 1.533(4) . ?
C32B H32G 0.9800 . ?
C32B H32H 0.9800 . ?
C32B H32I 0.9800 . ?
C33B H33G 0.9800 . ?
C33B H33H 0.9800 . ?
C33B H33I 0.9800 . ?
C34B H34G 0.9800 . ?
C34B H34H 0.9800 . ?
C34B H34I 0.9800 . ?
S1C O2C 1.579(2) . ?
S1C O3C 1.427(2) . ?
S1C O4C 1.430(2) . ?
S1C C22C 1.762(3) . ?
Si1C O1C 1.644(2) . ?
Si1C C29C 1.872(4) . ?
Si1C C30C 1.867(4) . ?
Si1C C31C 1.884(3) . ?
O1C C8C 1.436(3) . ?
O2C C20C 1.482(3) . ?
C18C H18J 0.9800 . ?
C18C H18K 0.9800 . ?
C18C H18L 0.9800 . ?
C18C C13C 1.540(4) . ?
C8C H8C 1.0000 . ?
C8C C9C 1.527(4) . ?
C8C C14C 1.528(4) . ?
C9C H9CA 0.9900 . ?
C9C H9CB 0.9900 . ?
C9C C11C 1.526(4) . ?
C11C H11G 0.9900 . ?
C11C H11H 0.9900 . ?
C11C C12C 1.530(4) . ?
C12C H12G 0.9900 . ?
C12C H12H 0.9900 . ?
C12C C13C 1.548(4) . ?
C13C C14C 1.554(4) . ?
C13C C20C 1.537(4) . ?
C14C H14C 1.0000 . ?
C14C C15C 1.527(4) . ?
C15C H15G 0.9900 . ?
C15C H15H 0.9900 . ?
C15C C16C 1.530(4) . ?
C16C H16G 0.9900 . ?
C16C H16H 0.9900 . ?
C16C C17C 1.535(4) . ?
C17C H17C 1.0000 . ?
C17C C20C 1.525(4) . ?
C17C C21C 1.524(4) . ?
C20C H20C 1.0000 . ?
C21C H21J 0.9800 . ?
C21C H21K 0.9800 . ?
C21C H21L 0.9800 . ?
C22C C23C 1.389(4) . ?
C22C C27C 1.386(4) . ?
C23C H23C 0.9500 . ?
C23C C24C 1.380(5) . ?
C24C H24C 0.9500 . ?
C24C C25C 1.395(5) . ?
C25C C26C 1.397(5) . ?
C25C C28C 1.508(5) . ?
C26C H26C 0.9500 . ?
C26C C27C 1.390(5) . ?
C27C H27C 0.9500 . ?
C28C H28J 0.9800 . ?
C28C H28K 0.9800 . ?
C28C H28L 0.9800 . ?
C29C H29J 0.9800 . ?
C29C H29K 0.9800 . ?
C29C H29L 0.9800 . ?
C30C H30J 0.9800 . ?
C30C H30K 0.9800 . ?
C30C H30L 0.9800 . ?
C31C C32C 1.538(4) . ?
C31C C33C 1.536(4) . ?
C31C C34C 1.537(4) . ?
C32C H32J 0.9800 . ?
C32C H32K 0.9800 . ?
C32C H32L 0.9800 . ?
C33C H33J 0.9800 . ?
C33C H33K 0.9800 . ?
C33C H33L 0.9800 . ?
C34C H34J 0.9800 . ?
C34C H34K 0.9800 . ?
C34C H34L 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S1 O2 C20 C13 -105.0(2) . . . . ?
S1 O2 C20 C17 131.1(2) . . . . ?
S1 C22 C23 C24 178.6(2) . . . . ?
S1 C22 C27 C26 -178.3(2) . . . . ?
Si1 O1 C8 C9 107.6(2) . . . . ?
Si1 O1 C8 C14 -129.4(2) . . . . ?
O1 Si1 C31 C32 -174.3(2) . . . . ?
O1 Si1 C31 C33 66.3(3) . . . . ?
O1 Si1 C31 C34 -54.0(3) . . . . ?
O1 C8 C9 C11 68.7(3) . . . . ?
O1 C8 C14 C13 -68.3(3) . . . . ?
O1 C8 C14 C15 61.5(3) . . . . ?
O2 S1 C22 C23 -87.4(3) . . . . ?
O2 S1 C22 C27 92.9(3) . . . . ?
O3 S1 O2 C20 146.7(2) . . . . ?
O3 S1 C22 C23 24.1(3) . . . . ?
O3 S1 C22 C27 -155.7(3) . . . . ?
O4 S1 O2 C20 16.6(3) . . . . ?
O4 S1 C22 C23 156.4(2) . . . . ?
O4 S1 C22 C27 -23.3(3) . . . . ?
C8 C9 C11 C12 55.4(3) . . . . ?
C8 C14 C15 C16 172.4(2) . . . . ?
C9 C8 C14 C13 53.7(3) . . . . ?
C9 C8 C14 C15 -176.5(3) . . . . ?
C9 C11 C12 C13 -56.8(3) . . . . ?
C11 C12 C13 C14 53.8(3) . . . . ?
C11 C12 C13 C20 168.2(2) . . . . ?
C11 C12 C13 C18 -70.7(3) . . . . ?
C12 C13 C14 C8 -52.7(3) . . . . ?
C12 C13 C14 C15 177.4(2) . . . . ?
C12 C13 C20 O2 62.9(3) . . . . ?
C12 C13 C20 C17 -177.2(2) . . . . ?
C13 C14 C15 C16 -57.0(3) . . . . ?
C14 C8 C9 C11 -53.8(3) . . . . ?
C14 C13 C20 O2 179.4(2) . . . . ?
C14 C13 C20 C17 -60.6(3) . . . . ?
C14 C15 C16 C17 52.0(4) . . . . ?
C15 C16 C17 C20 -51.3(4) . . . . ?
C15 C16 C17 C21 -175.2(3) . . . . ?
C16 C17 C20 O2 178.5(2) . . . . ?
C16 C17 C20 C13 57.5(3) . . . . ?
C20 C13 C14 C8 -170.5(2) . . . . ?
C20 C13 C14 C15 59.6(3) . . . . ?
C21 C17 C20 O2 -59.2(3) . . . . ?
C21 C17 C20 C13 179.9(2) . . . . ?
C22 S1 O2 C20 -98.8(2) . . . . ?
C22 C23 C24 C25 0.3(5) . . . . ?
C23 C22 C27 C26 2.0(5) . . . . ?
C23 C24 C25 C26 0.7(5) . . . . ?
C23 C24 C25 C28 -179.8(3) . . . . ?
C24 C25 C26 C27 -0.4(5) . . . . ?
C25 C26 C27 C22 -0.9(5) . . . . ?
C18 C13 C14 C8 69.1(3) . . . . ?
C18 C13 C14 C15 -60.8(3) . . . . ?
C18 C13 C20 O2 -57.7(3) . . . . ?
C18 C13 C20 C17 62.2(3) . . . . ?
C27 C22 C23 C24 -1.7(5) . . . . ?
C28 C25 C26 C27 -179.9(3) . . . . ?
C29 Si1 O1 C8 69.5(2) . . . . ?
C29 Si1 C31 C32 -55.2(3) . . . . ?
C29 Si1 C31 C33 -174.5(3) . . . . ?
C29 Si1 C31 C34 65.1(3) . . . . ?
C30 Si1 O1 C8 -50.3(3) . . . . ?
C30 Si1 C31 C32 65.2(3) . . . . ?
C30 Si1 C31 C33 -54.2(3) . . . . ?
C30 Si1 C31 C34 -174.5(2) . . . . ?
C31 Si1 O1 C8 -171.1(2) . . . . ?
S1A O2A C20A C13A -104.2(2) . . . . ?
S1A O2A C20A C17A 131.3(2) . . . . ?
S1A C22A C23A C24A 177.3(3) . . . . ?
S1A C22A C27A C26A -175.8(3) . . . . ?
Si1A O1A C8A C9A 98.7(3) . . . . ?
Si1A O1A C8A C14A -137.8(2) . . . . ?
O1A Si1A C31A C32A -58.2(2) . . . . ?
O1A Si1A C31A C33A -177.6(2) . . . . ?
O1A Si1A C31A C34A 60.6(2) . . . . ?
O1A C8A C9A C11A 69.1(3) . . . . ?
O1A C8A C14A C13A -69.0(3) . . . . ?
O1A C8A C14A C15A 60.0(3) . . . . ?
O2A S1A C22A C23A -93.5(3) . . . . ?
O2A S1A C22A C27A 85.1(3) . . . . ?
O3A S1A O2A C20A 122.9(2) . . . . ?
O3A S1A C22A C23A 18.0(3) . . . . ?
O3A S1A C22A C27A -163.4(3) . . . . ?
O4A S1A O2A C20A -7.7(2) . . . . ?
O4A S1A C22A C23A 150.4(2) . . . . ?
O4A S1A C22A C27A -31.0(3) . . . . ?
C8A C9A C11A C12A 55.0(3) . . . . ?
C8A C14A C15A C16A 171.9(2) . . . . ?
C9A C8A C14A C13A 54.3(3) . . . . ?
C9A C8A C14A C15A -176.7(2) . . . . ?
C9A C11A C12A C13A -57.0(3) . . . . ?
C11A C12A C13A C14A 54.6(3) . . . . ?
C11A C12A C13A C18A -70.2(3) . . . . ?
C11A C12A C13A C20A 168.6(2) . . . . ?
C12A C13A C14A C8A -53.6(3) . . . . ?
C12A C13A C14A C15A 177.1(2) . . . . ?
C12A C13A C20A O2A 63.8(3) . . . . ?
C12A C13A C20A C17A -176.4(2) . . . . ?
C13A C14A C15A C16A -58.1(3) . . . . ?
C14A C8A C9A C11A -53.5(3) . . . . ?
C14A C13A C20A O2A 179.7(2) . . . . ?
C14A C13A C20A C17A -60.5(3) . . . . ?
C14A C15A C16A C17A 53.6(3) . . . . ?
C15A C16A C17A C20A -52.1(3) . . . . ?
C15A C16A C17A C21A -174.7(3) . . . . ?
C18A C13A C14A C8A 68.4(3) . . . . ?
C18A C13A C14A C15A -60.9(3) . . . . ?
C18A C13A C20A O2A -57.1(3) . . . . ?
C18A C13A C20A C17A 62.7(3) . . . . ?
C16A C17A C20A O2A 178.7(2) . . . . ?
C16A C17A C20A C13A 57.6(3) . . . . ?
C20A C13A C14A C8A -171.2(2) . . . . ?
C20A C13A C14A C15A 59.5(3) . . . . ?
C21A C17A C20A O2A -60.1(3) . . . . ?
C21A C17A C20A C13A 178.9(2) . . . . ?
C22A S1A O2A C20A -124.0(2) . . . . ?
C22A C23A C24A C25A -1.2(5) . . . . ?
C23A C22A C27A C26A 2.7(5) . . . . ?
C23A C24A C25A C26A 2.1(5) . . . . ?
C23A C24A C25A C28A -177.7(3) . . . . ?
C24A C25A C26A C27A -0.5(5) . . . . ?
C25A C26A C27A C22A -1.8(5) . . . . ?
C27A C22A C23A C24A -1.2(5) . . . . ?
C28A C25A C26A C27A 179.3(3) . . . . ?
C29A Si1A O1A C8A -75.3(3) . . . . ?
C29A Si1A C31A C32A -177.4(3) . . . . ?
C29A Si1A C31A C33A 63.2(3) . . . . ?
C29A Si1A C31A C34A -58.7(3) . . . . ?
C30A Si1A O1A C8A 45.3(3) . . . . ?
C30A Si1A C31A C32A 61.1(3) . . . . ?
C30A Si1A C31A C33A -58.3(3) . . . . ?
C30A Si1A C31A C34A 179.9(3) . . . . ?
C31A Si1A O1A C8A 163.8(2) . . . . ?
S1B O2B C20B C13B -105.8(2) . . . . ?
S1B O2B C20B C17B 131.1(2) . . . . ?
S1B C22B C23B C24B 178.5(2) . . . . ?
S1B C22B C27B C26B -177.8(2) . . . . ?
Si1B O1B C8B C9B 108.2(2) . . . . ?
Si1B O1B C8B C14B -129.2(2) . . . . ?
O1B Si1B C31B C32B -54.1(3) . . . . ?
O1B Si1B C31B C33B 65.2(3) . . . . ?
O1B Si1B C31B C34B -174.3(2) . . . . ?
O1B C8B C9B C11B 67.4(3) . . . . ?
O1B C8B C14B C13B -67.1(3) . . . . ?
O1B C8B C14B C15B 62.1(3) . . . . ?
O2B S1B C22B C23B -93.2(2) . . . . ?
O2B S1B C22B C27B 87.2(3) . . . . ?
O3B S1B O2B C20B 151.7(2) . . . . ?
O3B S1B C22B C23B 17.6(3) . . . . ?
O3B S1B C22B C27B -162.0(2) . . . . ?
O4B S1B O2B C20B 22.0(2) . . . . ?
O4B S1B C22B C23B 149.9(2) . . . . ?
O4B S1B C22B C27B -29.7(3) . . . . ?
C18B C13B C14B C8B 68.7(3) . . . . ?
C18B C13B C14B C15B -60.9(3) . . . . ?
C18B C13B C20B O2B -56.7(3) . . . . ?
C18B C13B C20B C17B 62.1(3) . . . . ?
C8B C9B C11B C12B 55.9(3) . . . . ?
C8B C14B C15B C16B 172.7(2) . . . . ?
C9B C8B C14B C13B 54.6(3) . . . . ?
C9B C8B C14B C15B -176.2(2) . . . . ?
C9B C11B C12B C13B -56.6(3) . . . . ?
C11B C12B C13B C18B -70.6(3) . . . . ?
C11B C12B C13B C14B 53.6(3) . . . . ?
C11B C12B C13B C20B 168.4(2) . . . . ?
C12B C13B C14B C8B -52.9(3) . . . . ?
C12B C13B C14B C15B 177.6(2) . . . . ?
C12B C13B C20B O2B 63.9(3) . . . . ?
C12B C13B C20B C17B -177.3(2) . . . . ?
C13B C14B C15B C16B -57.2(3) . . . . ?
C14B C8B C9B C11B -54.9(3) . . . . ?
C14B C13B C20B O2B -179.4(2) . . . . ?
C14B C13B C20B C17B -60.6(3) . . . . ?
C14B C15B C16B C17B 52.9(3) . . . . ?
C15B C16B C17B C20B -52.2(3) . . . . ?
C15B C16B C17B C21B -176.2(3) . . . . ?
C16B C17B C20B O2B 177.7(2) . . . . ?
C16B C17B C20B C13B 57.7(3) . . . . ?
C20B C13B C14B C8B -171.0(2) . . . . ?
C20B C13B C14B C15B 59.4(3) . . . . ?
C21B C17B C20B O2B -60.4(3) . . . . ?
C21B C17B C20B C13B 179.5(2) . . . . ?
C22B S1B O2B C20B -93.9(2) . . . . ?
C22B C23B C24B C25B -0.8(5) . . . . ?
C23B C22B C27B C26B 2.7(5) . . . . ?
C23B C24B C25B C26B 2.8(5) . . . . ?
C23B C24B C25B C28B -177.4(3) . . . . ?
C24B C25B C26B C27B -2.1(5) . . . . ?
C25B C26B C27B C22B -0.6(5) . . . . ?
C27B C22B C23B C24B -2.0(4) . . . . ?
C28B C25B C26B C27B 178.1(3) . . . . ?
C29B Si1B O1B C8B 70.6(3) . . . . ?
C29B Si1B C31B C32B 65.2(3) . . . . ?
C29B Si1B C31B C33B -175.6(3) . . . . ?
C29B Si1B C31B C34B -55.1(3) . . . . ?
C30B Si1B O1B C8B -49.2(3) . . . . ?
C30B Si1B C31B C32B -174.3(2) . . . . ?
C30B Si1B C31B C33B -55.0(3) . . . . ?
C30B Si1B C31B C34B 65.5(3) . . . . ?
C31B Si1B O1B C8B -169.9(2) . . . . ?
S1C O2C C20C C13C -104.0(2) . . . . ?
S1C O2C C20C C17C 131.4(2) . . . . ?
S1C C22C C23C C24C -175.5(2) . . . . ?
S1C C22C C27C C26C 176.0(2) . . . . ?
Si1C O1C C8C C9C 98.9(3) . . . . ?
Si1C O1C C8C C14C -137.9(2) . . . . ?
O1C Si1C C31C C32C -57.6(2) . . . . ?
O1C Si1C C31C C33C 61.3(2) . . . . ?
O1C Si1C C31C C34C -177.2(2) . . . . ?
O1C C8C C9C C11C 69.3(3) . . . . ?
O1C C8C C14C C13C -68.7(3) . . . . ?
O1C C8C C14C C15C 60.6(3) . . . . ?
O2C S1C C22C C23C 86.5(3) . . . . ?
O2C S1C C22C C27C -91.2(3) . . . . ?
O3C S1C O2C C20C -1.4(2) . . . . ?
O3C S1C C22C C23C -29.1(3) . . . . ?
O3C S1C C22C C27C 153.1(2) . . . . ?
O4C S1C O2C C20C 128.8(2) . . . . ?
O4C S1C C22C C23C -161.2(3) . . . . ?
O4C S1C C22C C27C 21.0(3) . . . . ?
C18C C13C C14C C8C 68.2(3) . . . . ?
C18C C13C C14C C15C -61.3(3) . . . . ?
C18C C13C C20C O2C -56.3(3) . . . . ?
C18C C13C C20C C17C 63.6(3) . . . . ?
C8C C9C C11C C12C 54.4(3) . . . . ?
C8C C14C C15C C16C 171.6(2) . . . . ?
C9C C8C C14C C13C 54.0(3) . . . . ?
C9C C8C C14C C15C -176.7(2) . . . . ?
C9C C11C C12C C13C -56.4(3) . . . . ?
C11C C12C C13C C18C -70.6(3) . . . . ?
C11C C12C C13C C14C 54.2(3) . . . . ?
C11C C12C C13C C20C 168.6(2) . . . . ?
C12C C13C C14C C8C -53.4(3) . . . . ?
C12C C13C C14C C15C 177.1(2) . . . . ?
C12C C13C C20C O2C 64.0(3) . . . . ?
C12C C13C C20C C17C -176.1(2) . . . . ?
C13C C14C C15C C16C -58.1(3) . . . . ?
C14C C8C C9C C11C -52.9(3) . . . . ?
C14C C13C C20C O2C -179.8(2) . . . . ?
C14C C13C C20C C17C -59.8(3) . . . . ?
C14C C15C C16C C17C 53.3(3) . . . . ?
C15C C16C C17C C20C -51.5(3) . . . . ?
C15C C16C C17C C21C -174.4(3) . . . . ?
C16C C17C C20C O2C 178.0(2) . . . . ?
C16C C17C C20C C13C 56.8(3) . . . . ?
C20C C13C C14C C8C -171.1(2) . . . . ?
C20C C13C C14C C15C 59.4(3) . . . . ?
C21C C17C C20C O2C -60.4(3) . . . . ?
C21C C17C C20C C13C 178.4(2) . . . . ?
C22C S1C O2C C20C -117.2(2) . . . . ?
C22C C23C C24C C25C -0.7(5) . . . . ?
C23C C22C C27C C26C -1.7(5) . . . . ?
C23C C24C C25C C26C -1.3(5) . . . . ?
C23C C24C C25C C28C 179.6(3) . . . . ?
C24C C25C C26C C27C 1.8(5) . . . . ?
C25C C26C C27C C22C -0.3(5) . . . . ?
C27C C22C C23C C24C 2.2(5) . . . . ?
C28C C25C C26C C27C -179.1(3) . . . . ?
C29C Si1C O1C C8C 45.6(3) . . . . ?
C29C Si1C C31C C32C 61.3(3) . . . . ?
C29C Si1C C31C C33C -179.7(3) . . . . ?
C29C Si1C C31C C34C -58.3(3) . . . . ?
C30C Si1C O1C C8C -75.3(3) . . . . ?
C30C Si1C C31C C32C -176.8(2) . . . . ?
C30C Si1C C31C C33C -57.9(3) . . . . ?
C30C Si1C C31C C34C 63.6(3) . . . . ?
C31C Si1C O1C C8C 163.8(2) . . . . ?
