#------------------------------------------------------------------------------
#$Date: 2025-03-04 20:26:28 +0100 (Tue 04 de Mar de 2025) $
#$Revision: 298144 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/37/1573713.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_1573713
loop_
_publ_author_name
'Matsuo, Tomotoki'
'Sano, Masaki'
'Sumida, Yuto'
'Ohmiya, Hirohisa'
_publ_section_title
;
 Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              3150
_journal_page_last               3156
_journal_paper_doi               10.1039/d4sc07048h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C27 H19 F3 O2 Si'
_chemical_formula_weight         460.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc2jyp4b
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-30 deposited with the CCDC.	2025-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                106.882(5)
_cell_angle_beta                 94.204(3)
_cell_angle_gamma                111.756(3)
_cell_formula_units_Z            2
_cell_length_a                   8.589(3)
_cell_length_b                   9.902(4)
_cell_length_c                   14.679(6)
_cell_measurement_reflns_used    5426
_cell_measurement_temperature    86(2)
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      2.32
_cell_volume                     1086.3(7)
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      86(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10602
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.314
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.157
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.640
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.120
_exptl_transmission_factor_max   0.7452
_exptl_transmission_factor_min   0.6511
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3814
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0348
_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)+(0.0498P)²+0.5678P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0945
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3468
_reflns_number_total             3814
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc07048h2.cif
_cod_data_source_block           YMi2_a
_cod_depositor_comments          'Adding full bibliography for 1573713.cif.'
_cod_original_cell_volume        1086.2(7)
_cod_database_code               1573713
_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_min   0.906
_shelx_estimated_absorpt_t_max   0.981
loop_
_space_group_symop_operation_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_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
C1 C 0.1972(2) 0.40468(18) 0.40281(11) 0.0175(3) Uani 1 1 d . . . . .
C2 C 0.0917(2) 0.27412(19) 0.42086(12) 0.0207(3) Uani 1 1 d . . . . .
H2 H 0.039356 0.178085 0.368680 0.025 Uiso 1 1 calc R U . . .
C3 C 0.0603(2) 0.28031(19) 0.51390(12) 0.0216(4) Uani 1 1 d . . . . .
C4 C 0.1390(2) 0.4203(2) 0.59152(12) 0.0242(4) Uani 1 1 d . . . . .
H4 H 0.120733 0.425642 0.655293 0.029 Uiso 1 1 calc R U . . .
C5 C 0.2441(2) 0.5510(2) 0.57411(12) 0.0237(4) Uani 1 1 d . . . . .
H5 H 0.296380 0.646533 0.626726 0.028 Uiso 1 1 calc R U . . .
C6 C 0.2756(2) 0.54685(18) 0.48124(11) 0.0199(3) Uani 1 1 d . . . . .
C7 C 0.3898(2) 0.69556(18) 0.47175(11) 0.0224(4) Uani 1 1 d . . . . .
C8 C 0.4617(2) 0.70445(18) 0.38109(12) 0.0200(3) Uani 1 1 d . . . . .
C9 C 0.5864(2) 0.84899(19) 0.38927(13) 0.0253(4) Uani 1 1 d . . . . .
H9 H 0.621790 0.932279 0.449330 0.030 Uiso 1 1 calc R U . . .
C10 C 0.6589(2) 0.8722(2) 0.31108(13) 0.0276(4) Uani 1 1 d . . . . .
H10 H 0.742925 0.971072 0.317282 0.033 Uiso 1 1 calc R U . . .
C11 C 0.6081(2) 0.74967(19) 0.22289(13) 0.0226(4) Uani 1 1 d . . . . .
C12 C 0.4849(2) 0.60487(18) 0.21411(12) 0.0200(3) Uani 1 1 d . . . . .
H12 H 0.451787 0.521793 0.154102 0.024 Uiso 1 1 calc R U . . .
C13 C 0.40904(19) 0.57990(18) 0.29234(11) 0.0179(3) Uani 1 1 d . . . . .
C14 C 0.0314(2) 0.39213(18) 0.20471(11) 0.0172(3) Uani 1 1 d . . . . .
C15 C 0.0430(2) 0.50203(19) 0.16037(12) 0.0228(4) Uani 1 1 d . . . . .
H15 H 0.151968 0.580618 0.165529 0.027 Uiso 1 1 calc R U . . .
C16 C -0.1023(2) 0.4983(2) 0.10877(13) 0.0284(4) Uani 1 1 d . . . . .
H16 H -0.091586 0.573525 0.078768 0.034 Uiso 1 1 calc R U . . .
C17 C -0.2623(2) 0.3851(2) 0.10120(12) 0.0261(4) Uani 1 1 d . . . . .
H17 H -0.361356 0.382833 0.066242 0.031 Uiso 1 1 calc R U . . .
C18 C -0.2777(2) 0.27484(19) 0.14479(12) 0.0240(4) Uani 1 1 d . . . . .
H18 H -0.387220 0.197287 0.139926 0.029 Uiso 1 1 calc R U . . .
C19 C -0.1321(2) 0.27842(18) 0.19559(11) 0.0213(3) Uani 1 1 d . . . . .
H19 H -0.143662 0.202151 0.224774 0.026 Uiso 1 1 calc R U . . .
C20 C 0.25318(19) 0.21345(17) 0.21269(11) 0.0169(3) Uani 1 1 d . . . . .
C21 C 0.2003(2) 0.13927(18) 0.11175(11) 0.0208(3) Uani 1 1 d . . . . .
H21 H 0.153564 0.183714 0.073979 0.025 Uiso 1 1 calc R U . . .
C22 C 0.2152(2) 0.00153(19) 0.06587(12) 0.0259(4) Uani 1 1 d . . . . .
H22 H 0.179351 -0.046943 -0.002697 0.031 Uiso 1 1 calc R U . . .
C23 C 0.2824(2) -0.06494(19) 0.12053(13) 0.0276(4) Uani 1 1 d . . . . .
H23 H 0.290540 -0.159979 0.089473 0.033 Uiso 1 1 calc R U . . .
C24 C 0.3379(2) 0.0077(2) 0.22074(13) 0.0273(4) Uani 1 1 d . . . . .
H24 H 0.385311 -0.036906 0.258088 0.033 Uiso 1 1 calc R U . . .
C25 C 0.3235(2) 0.14580(19) 0.26603(12) 0.0215(4) Uani 1 1 d . . . . .
H25 H 0.362227 0.195154 0.334406 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6833(2) 0.7814(2) 0.13866(14) 0.0274(4) Uani 1 1 d . . . . .
C27 C -0.0864(2) 0.1427(2) 0.61322(13) 0.0313(4) Uani 1 1 d . . . . .
H27 H 0.020033 0.177976 0.659938 0.047 Uiso 1 1 calc R U . . .
H27A H -0.162164 0.037371 0.608121 0.047 Uiso 1 1 calc R U . . .
H27B H -0.143346 0.212106 0.635406 0.047 Uiso 1 1 calc R U . . .
Si1 Si 0.22395(5) 0.39361(5) 0.27595(3) 0.01516(13) Uani 1 1 d . . . . .
F1 F 0.63713(13) 0.65527(11) 0.05980(7) 0.0297(2) Uani 1 1 d . . . . .
F2 F 0.63516(16) 0.88124(13) 0.11050(9) 0.0425(3) Uani 1 1 d . . . . .
F3 F 0.85563(13) 0.84801(14) 0.15995(9) 0.0444(3) Uani 1 1 d . . . . .
O1 O -0.04819(16) 0.14340(14) 0.52001(8) 0.0299(3) Uani 1 1 d . . . . .
O2 O 0.43172(19) 0.81680(14) 0.54008(9) 0.0355(3) Uani 1 1 d . . . . .
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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C2 C1 C6 118.65(14) . . ?
C2 C1 Si1 120.18(12) . . ?
C6 C1 Si1 121.07(12) . . ?
C1 C2 C3 121.73(15) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
O1 C3 C4 125.35(15) . . ?
O1 C3 C2 115.01(14) . . ?
C4 C3 C2 119.63(15) . . ?
C5 C4 C3 118.99(15) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 122.00(15) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 118.98(15) . . ?
C5 C6 C7 116.88(14) . . ?
C1 C6 C7 124.13(14) . . ?
O2 C7 C6 119.51(15) . . ?
O2 C7 C8 117.66(15) . . ?
C6 C7 C8 122.81(13) . . ?
C9 C8 C13 119.99(15) . . ?
C9 C8 C7 115.50(14) . . ?
C13 C8 C7 124.51(14) . . ?
C10 C9 C8 120.83(16) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.71(16) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 119.97(16) . . ?
C12 C11 C26 121.90(15) . . ?
C10 C11 C26 118.07(15) . . ?
C11 C12 C13 121.01(15) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C8 118.49(15) . . ?
C12 C13 Si1 120.89(12) . . ?
C8 C13 Si1 120.21(12) . . ?
C15 C14 C19 117.50(15) . . ?
C15 C14 Si1 122.67(12) . . ?
C19 C14 Si1 119.82(12) . . ?
C16 C15 C14 121.23(15) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 120.08(16) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 119.90(16) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 119.77(15) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C14 121.52(16) . . ?
C18 C19 H19 119.2 . . ?
C14 C19 H19 119.2 . . ?
C25 C20 C21 117.95(15) . . ?
C25 C20 Si1 120.53(12) . . ?
C21 C20 Si1 121.49(12) . . ?
C22 C21 C20 121.12(16) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C23 C22 C21 119.89(16) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.02(16) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 119.75(16) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C20 121.25(16) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
F1 C26 F3 106.83(14) . . ?
F1 C26 F2 106.16(15) . . ?
F3 C26 F2 105.47(14) . . ?
F1 C26 C11 113.74(14) . . ?
F3 C26 C11 112.61(15) . . ?
F2 C26 C11 111.45(14) . . ?
O1 C27 H27 109.5 . . ?
O1 C27 H27A 109.5 . . ?
H27 C27 H27A 109.5 . . ?
O1 C27 H27B 109.5 . . ?
H27 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C1 Si1 C13 103.90(7) . . ?
C1 Si1 C20 110.03(7) . . ?
C13 Si1 C20 115.51(7) . . ?
C1 Si1 C14 110.86(7) . . ?
C13 Si1 C14 107.43(7) . . ?
C20 Si1 C14 109.00(7) . . ?
C3 O1 C27 117.63(14) . . ?
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
C1 C2 1.389(2) . ?
C1 C6 1.415(2) . ?
C1 Si1 1.8694(17) . ?
C2 C3 1.400(2) . ?
C2 H2 0.9500 . ?
C3 O1 1.364(2) . ?
C3 C4 1.397(2) . ?
C4 C5 1.384(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.401(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.489(2) . ?
C7 O2 1.226(2) . ?
C7 C8 1.520(2) . ?
C8 C9 1.398(2) . ?
C8 C13 1.411(2) . ?
C9 C10 1.382(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.397(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.393(2) . ?
C11 C26 1.496(2) . ?
C12 C13 1.400(2) . ?
C12 H12 0.9500 . ?
C13 Si1 1.8709(17) . ?
C14 C15 1.399(2) . ?
C14 C19 1.404(2) . ?
C14 Si1 1.8840(17) . ?
C15 C16 1.394(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.391(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.401(2) . ?
C20 C21 1.401(2) . ?
C20 Si1 1.8740(17) . ?
C21 C22 1.392(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 F1 1.335(2) . ?
C26 F3 1.346(2) . ?
C26 F2 1.354(2) . ?
C27 O1 1.432(2) . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 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
C6 C1 C2 C3 0.5(2) . . . . ?
Si1 C1 C2 C3 -175.98(12) . . . . ?
C1 C2 C3 O1 178.98(14) . . . . ?
C1 C2 C3 C4 -1.2(2) . . . . ?
O1 C3 C4 C5 -178.86(16) . . . . ?
C2 C3 C4 C5 1.3(2) . . . . ?
C3 C4 C5 C6 -0.8(3) . . . . ?
C4 C5 C6 C1 0.2(2) . . . . ?
C4 C5 C6 C7 179.50(15) . . . . ?
C2 C1 C6 C5 0.0(2) . . . . ?
Si1 C1 C6 C5 176.45(12) . . . . ?
C2 C1 C6 C7 -179.27(15) . . . . ?
Si1 C1 C6 C7 -2.8(2) . . . . ?
C5 C6 C7 O2 -9.9(2) . . . . ?
C1 C6 C7 O2 169.34(16) . . . . ?
C5 C6 C7 C8 168.48(15) . . . . ?
C1 C6 C7 C8 -12.2(2) . . . . ?
O2 C7 C8 C9 7.6(2) . . . . ?
C6 C7 C8 C9 -170.82(15) . . . . ?
O2 C7 C8 C13 -171.32(16) . . . . ?
C6 C7 C8 C13 10.2(2) . . . . ?
C13 C8 C9 C10 0.3(3) . . . . ?
C7 C8 C9 C10 -178.68(15) . . . . ?
C8 C9 C10 C11 -0.5(3) . . . . ?
C9 C10 C11 C12 0.0(3) . . . . ?
C9 C10 C11 C26 177.11(16) . . . . ?
C10 C11 C12 C13 0.7(2) . . . . ?
C26 C11 C12 C13 -176.36(15) . . . . ?
C11 C12 C13 C8 -0.8(2) . . . . ?
C11 C12 C13 Si1 171.92(12) . . . . ?
C9 C8 C13 C12 0.3(2) . . . . ?
C7 C8 C13 C12 179.21(14) . . . . ?
C9 C8 C13 Si1 -172.45(12) . . . . ?
C7 C8 C13 Si1 6.4(2) . . . . ?
C19 C14 C15 C16 -0.2(2) . . . . ?
Si1 C14 C15 C16 -179.50(13) . . . . ?
C14 C15 C16 C17 0.5(3) . . . . ?
C15 C16 C17 C18 -0.2(3) . . . . ?
C16 C17 C18 C19 -0.2(2) . . . . ?
C17 C18 C19 C14 0.5(2) . . . . ?
C15 C14 C19 C18 -0.2(2) . . . . ?
Si1 C14 C19 C18 179.05(12) . . . . ?
C25 C20 C21 C22 0.8(2) . . . . ?
Si1 C20 C21 C22 -176.95(12) . . . . ?
C20 C21 C22 C23 0.4(2) . . . . ?
C21 C22 C23 C24 -1.2(3) . . . . ?
C22 C23 C24 C25 0.9(3) . . . . ?
C23 C24 C25 C20 0.4(3) . . . . ?
C21 C20 C25 C24 -1.2(2) . . . . ?
Si1 C20 C25 C24 176.60(12) . . . . ?
C12 C11 C26 F1 -7.7(2) . . . . ?
C10 C11 C26 F1 175.25(14) . . . . ?
C12 C11 C26 F3 -129.41(17) . . . . ?
C10 C11 C26 F3 53.5(2) . . . . ?
C12 C11 C26 F2 112.29(18) . . . . ?
C10 C11 C26 F2 -64.8(2) . . . . ?
C2 C1 Si1 C13 -168.11(13) . . . . ?
C6 C1 Si1 C13 15.49(14) . . . . ?
C2 C1 Si1 C20 -43.88(15) . . . . ?
C6 C1 Si1 C20 139.71(13) . . . . ?
C2 C1 Si1 C14 76.77(14) . . . . ?
C6 C1 Si1 C14 -99.64(14) . . . . ?
C12 C13 Si1 C1 170.32(13) . . . . ?
C8 C13 Si1 C1 -17.08(14) . . . . ?
C12 C13 Si1 C20 49.71(15) . . . . ?
C8 C13 Si1 C20 -137.69(13) . . . . ?
C12 C13 Si1 C14 -72.15(14) . . . . ?
C8 C13 Si1 C14 100.45(14) . . . . ?
C25 C20 Si1 C1 -27.03(15) . . . . ?
C21 C20 Si1 C1 150.66(13) . . . . ?
C25 C20 Si1 C13 90.19(14) . . . . ?
C21 C20 Si1 C13 -92.12(14) . . . . ?
C25 C20 Si1 C14 -148.79(12) . . . . ?
C21 C20 Si1 C14 28.90(15) . . . . ?
C15 C14 Si1 C1 122.87(13) . . . . ?
C19 C14 Si1 C1 -56.39(14) . . . . ?
C15 C14 Si1 C13 9.96(15) . . . . ?
C19 C14 Si1 C13 -169.29(12) . . . . ?
C15 C14 Si1 C20 -115.88(14) . . . . ?
C19 C14 Si1 C20 64.87(14) . . . . ?
C4 C3 O1 C27 0.7(2) . . . . ?
C2 C3 O1 C27 -179.48(14) . . . . ?
