# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_f1107
_audit_block_doi                 10.5517/ccdc.csd.cc26ml1h
_database_code_depnum_ccdc_archive 'CCDC 2044606'
loop_
_audit_author_name
_audit_author_address
GIC
;nanjing tech university
China
;
_audit_update_record             
;
2021-06-03 deposited with the CCDC.	2021-06-29 downloaded from the CCDC.
;
_audit_creation_date             2020-11-07
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.09.11 svn.r3730fd0d for OlexSys, GUI svn.r6159)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H26 O4 S Si'
_chemical_formula_sum            'C20 H26 O4 S Si'
_chemical_formula_weight         390.56
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.9277(3)
_cell_length_b                   10.9677(3)
_cell_length_c                   15.6981(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.067(3)
_cell_angle_gamma                90
_cell_volume                     2038.01(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3817
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      73.6900
_cell_measurement_theta_min      4.9350
_shelx_estimated_absorpt_T_max   0.798
_shelx_estimated_absorpt_T_min   0.753
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7543
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.172
_diffrn_reflns_theta_min         4.404
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -31.00  58.00   1.00    1.00    --   41.11 -37.00 -30.00   89
  2  ω     81.00 168.00   1.00    2.00    --  107.58  30.00-120.00   87
  3  ω     52.00 107.00   1.00    2.00    --  107.58 -94.00-180.00   55
  4  ω     37.00 132.00   1.00    2.00    --  107.58 -45.00-180.00   95
  5  ω     35.00 103.00   1.00    2.00    --  107.58 -94.00 -30.00   68
  6  ω     35.00 130.00   1.00    2.00    --  107.58 -45.00  60.00   95
  7  ω     22.00 111.00   1.00    1.00    --   41.11  57.00 120.00   89
  8  ω     17.00  79.00   1.00    1.00    --   41.11  57.00 -30.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0881702000
_diffrn_orient_matrix_UB_12      0.0349877000
_diffrn_orient_matrix_UB_13      0.0762585000
_diffrn_orient_matrix_UB_21      0.0959793000
_diffrn_orient_matrix_UB_22      -0.0308323000
_diffrn_orient_matrix_UB_23      -0.0538314000
_diffrn_orient_matrix_UB_31      -0.0005949000
_diffrn_orient_matrix_UB_32      0.1323504000
_diffrn_orient_matrix_UB_33      -0.0324907000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3314
_reflns_number_total             4008
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         4008
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.067
_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)+(0.0492P)²+1.3762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1279
_refine_special_details          ?
_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:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C11(H11), C12(H12), C14(H14), C15(H15)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.31358(5) 0.94429(5) 0.22559(4) 0.02605(15) Uani 1 1 d . . . . .
Si1 Si 0.55268(6) 0.92066(7) 0.17594(4) 0.03370(18) Uani 1 1 d . . . . .
O1 O 0.62183(15) 0.25087(15) 0.47996(12) 0.0365(4) Uani 1 1 d . . . . .
O2 O 0.59963(16) 0.81406(16) 0.39935(12) 0.0384(4) Uani 1 1 d . . . . .
O3 O 0.32254(16) 1.06495(15) 0.18989(11) 0.0348(4) Uani 1 1 d . . . . .
O4 O 0.25463(14) 0.85178(15) 0.17246(11) 0.0323(4) Uani 1 1 d . . . . .
C1 C 0.56695(18) 0.6021(2) 0.38638(14) 0.0253(5) Uani 1 1 d . . . . .
C2 C 0.51174(19) 0.5053(2) 0.34225(15) 0.0276(5) Uani 1 1 d . . . . .
H2 H 0.462670 0.520766 0.292683 0.033 Uiso 1 1 calc R U . . .
C3 C 0.5281(2) 0.3862(2) 0.37035(16) 0.0296(5) Uani 1 1 d . . . . .
H3 H 0.490809 0.322388 0.339815 0.036 Uiso 1 1 calc R U . . .
C4 C 0.60089(19) 0.3632(2) 0.44477(15) 0.0278(5) Uani 1 1 d . . . . .
C5 C 0.6583(2) 0.4588(2) 0.48944(15) 0.0295(5) Uani 1 1 d . . . . .
H5 H 0.708022 0.443045 0.538647 0.035 Uiso 1 1 calc R U . . .
C6 C 0.64133(19) 0.5764(2) 0.46051(15) 0.0288(5) Uani 1 1 d . . . . .
H6 H 0.679741 0.639921 0.490562 0.035 Uiso 1 1 calc R U . . .
C7 C 0.54597(19) 0.7317(2) 0.36194(15) 0.0261(5) Uani 1 1 d . . . . .
C8 C 0.45080(19) 0.7595(2) 0.29067(15) 0.0276(5) Uani 1 1 d . . . . .
H8A H 0.378888 0.742351 0.311062 0.033 Uiso 1 1 calc R U . . .
H8B H 0.457733 0.706360 0.242188 0.033 Uiso 1 1 calc R U . . .
C9 C 0.45228(19) 0.8925(2) 0.26103(15) 0.0263(5) Uani 1 1 d . . . . .
H9 H 0.480413 0.941371 0.311415 0.032 Uiso 1 1 calc R U . . .
C10 C 0.24922(19) 0.9590(2) 0.31989(16) 0.0275(5) Uani 1 1 d . . . . .
C11 C 0.2611(2) 1.0681(2) 0.36499(16) 0.0301(5) Uani 1 1 d . . . . .
H11 H 0.295905 1.134546 0.342517 0.036 Uiso 1 1 calc R U . . .
C12 C 0.2206(2) 1.0770(2) 0.44371(17) 0.0347(6) Uani 1 1 d . . . . .
H12 H 0.228157 1.150289 0.473696 0.042 Uiso 1 1 calc R U . . .
C13 C 0.1688(2) 0.9787(3) 0.47876(18) 0.0369(6) Uani 1 1 d . . . . .
C14 C 0.1541(2) 0.8716(2) 0.43093(18) 0.0366(6) Uani 1 1 d . . . . .
H14 H 0.117166 0.806014 0.452653 0.044 Uiso 1 1 calc R U . . .
C15 C 0.1931(2) 0.8608(2) 0.35186(17) 0.0314(5) Uani 1 1 d . . . . .
H15 H 0.181991 0.788992 0.320455 0.038 Uiso 1 1 calc R U . . .
C16 C 0.1343(3) 0.9873(3) 0.5675(2) 0.0536(8) Uani 1 1 d . . . . .
H16A H 0.196551 0.963819 0.608932 0.080 Uiso 1 1 calc R U . . .
H16B H 0.071471 0.933948 0.571903 0.080 Uiso 1 1 calc R U . . .
H16C H 0.112815 1.069688 0.578411 0.080 Uiso 1 1 calc R U . . .
C17 C 0.5613(2) 0.1498(2) 0.44060(19) 0.0417(6) Uani 1 1 d . . . . .
H17A H 0.575975 0.143074 0.382018 0.063 Uiso 1 1 calc R U . . .
H17B H 0.481837 0.161586 0.442259 0.063 Uiso 1 1 calc R U . . .
H17C H 0.585195 0.076476 0.470967 0.063 Uiso 1 1 calc R U . . .
C18 C 0.4824(3) 0.8689(3) 0.06958(17) 0.0425(6) Uani 1 1 d . . . . .
H18A H 0.459650 0.785369 0.073476 0.064 Uiso 1 1 calc R U . . .
H18B H 0.534229 0.876132 0.027636 0.064 Uiso 1 1 calc R U . . .
H18C H 0.417189 0.918627 0.052787 0.064 Uiso 1 1 calc R U . . .
C19 C 0.6807(3) 0.8263(4) 0.2072(2) 0.0576(9) Uani 1 1 d . . . . .
H19A H 0.717645 0.853757 0.261643 0.086 Uiso 1 1 calc R U . . .
H19B H 0.731342 0.834086 0.164551 0.086 Uiso 1 1 calc R U . . .
H19C H 0.659059 0.742482 0.211700 0.086 Uiso 1 1 calc R U . . .
C20 C 0.5931(3) 1.0847(3) 0.1749(2) 0.0519(8) Uani 1 1 d . . . . .
H20A H 0.526530 1.133587 0.161647 0.078 Uiso 1 1 calc R U . . .
H20B H 0.643020 1.097675 0.132192 0.078 Uiso 1 1 calc R U . . .
H20C H 0.630691 1.107223 0.230246 0.078 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O3 1.4461(17) . ?
S1 O4 1.4406(17) . ?
S1 C9 1.773(2) . ?
S1 C10 1.757(3) . ?
Si1 C9 1.926(2) . ?
Si1 C18 1.862(3) . ?
Si1 C19 1.859(3) . ?
Si1 C20 1.863(3) . ?
O1 C4 1.361(3) . ?
O1 C17 1.422(3) . ?
O2 C7 1.216(3) . ?
C1 C2 1.389(3) . ?
C1 C6 1.402(3) . ?
C1 C7 1.485(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(3) . ?
C4 C5 1.394(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.523(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.532(3) . ?
C9 H9 0.9800 . ?
C10 C11 1.388(3) . ?
C10 C15 1.394(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.384(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.389(4) . ?
C13 C14 1.394(4) . ?
C13 C16 1.504(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.383(4) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
O3 S1 C9 107.72(11) . . ?
O3 S1 C10 107.65(11) . . ?
O4 S1 O3 118.31(10) . . ?
O4 S1 C9 109.03(10) . . ?
O4 S1 C10 108.65(11) . . ?
C10 S1 C9 104.63(11) . . ?
C18 Si1 C9 108.87(12) . . ?
C18 Si1 C20 112.00(14) . . ?
C19 Si1 C9 106.73(12) . . ?
C19 Si1 C18 109.37(16) . . ?
C19 Si1 C20 109.54(17) . . ?
C20 Si1 C9 110.19(12) . . ?
C4 O1 C17 118.13(19) . . ?
C2 C1 C6 118.2(2) . . ?
C2 C1 C7 123.3(2) . . ?
C6 C1 C7 118.4(2) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.5(2) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.2(2) . . ?
C4 C3 H3 120.4 . . ?
O1 C4 C3 124.7(2) . . ?
O1 C4 C5 115.0(2) . . ?
C3 C4 C5 120.3(2) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.7(2) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 119.5 . . ?
C5 C6 C1 121.1(2) . . ?
C5 C6 H6 119.5 . . ?
O2 C7 C1 121.6(2) . . ?
O2 C7 C8 120.4(2) . . ?
C1 C7 C8 117.9(2) . . ?
C7 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
C7 C8 C9 112.23(19) . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
S1 C9 Si1 111.52(12) . . ?
S1 C9 H9 107.0 . . ?
Si1 C9 H9 107.0 . . ?
C8 C9 S1 110.82(16) . . ?
C8 C9 Si1 113.26(16) . . ?
C8 C9 H9 107.0 . . ?
C11 C10 S1 118.77(19) . . ?
C11 C10 C15 120.4(2) . . ?
C15 C10 S1 120.76(19) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(2) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.3(2) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 C14 118.3(2) . . ?
C12 C13 C16 120.3(3) . . ?
C14 C13 C16 121.4(3) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.4(2) . . ?
C15 C14 H14 119.3 . . ?
C10 C15 H15 120.5 . . ?
C14 C15 C10 119.1(2) . . ?
C14 C15 H15 120.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 H17A 109.5 . . ?
O1 C17 H17B 109.5 . . ?
O1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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 C10 C11 C12 -173.61(18) . . . . ?
S1 C10 C15 C14 173.08(19) . . . . ?
O1 C4 C5 C6 -178.5(2) . . . . ?
O2 C7 C8 C9 13.1(3) . . . . ?
O3 S1 C9 Si1 -46.57(15) . . . . ?
O3 S1 C9 C8 -173.73(16) . . . . ?
O3 S1 C10 C11 -27.0(2) . . . . ?
O3 S1 C10 C15 156.89(19) . . . . ?
O4 S1 C9 Si1 83.00(14) . . . . ?
O4 S1 C9 C8 -44.17(19) . . . . ?
O4 S1 C10 C11 -156.22(18) . . . . ?
O4 S1 C10 C15 27.6(2) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C1 C7 C8 C9 -169.64(19) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
C2 C1 C7 O2 -176.4(2) . . . . ?
C2 C1 C7 C8 6.4(3) . . . . ?
C2 C3 C4 O1 178.3(2) . . . . ?
C2 C3 C4 C5 -1.3(4) . . . . ?
C3 C4 C5 C6 1.1(4) . . . . ?
C4 C5 C6 C1 -0.1(4) . . . . ?
C6 C1 C2 C3 0.6(3) . . . . ?
C6 C1 C7 O2 7.4(3) . . . . ?
C6 C1 C7 C8 -169.8(2) . . . . ?
C7 C1 C2 C3 -175.7(2) . . . . ?
C7 C1 C6 C5 175.7(2) . . . . ?
C7 C8 C9 S1 -149.11(17) . . . . ?
C7 C8 C9 Si1 84.7(2) . . . . ?
C9 S1 C10 C11 87.4(2) . . . . ?
C9 S1 C10 C15 -88.7(2) . . . . ?
C10 S1 C9 Si1 -160.92(12) . . . . ?
C10 S1 C9 C8 71.91(18) . . . . ?
C10 C11 C12 C13 0.4(4) . . . . ?
C11 C10 C15 C14 -3.0(4) . . . . ?
C11 C12 C13 C14 -2.7(4) . . . . ?
C11 C12 C13 C16 174.9(2) . . . . ?
C12 C13 C14 C15 2.3(4) . . . . ?
C13 C14 C15 C10 0.6(4) . . . . ?
C15 C10 C11 C12 2.5(3) . . . . ?
C16 C13 C14 C15 -175.3(3) . . . . ?
C17 O1 C4 C3 -3.2(4) . . . . ?
C17 O1 C4 C5 176.5(2) . . . . ?

_olex2_date_sample_data_collection 2020-11-07
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.496
_oxdiff_exptl_absorpt_empirical_full_min 0.295
