# Electronic Supplementary Material (ESI) for Chemical Science.
# 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. 
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data_r20210304c
_database_code_depnum_ccdc_archive 'CCDC 2083478'
loop_
_audit_author_name
_audit_author_address
'Dongbing Zhao'
;Nankai University
China
;
_audit_update_record             
;
2021-05-13 deposited with the CCDC.	2021-10-07 downloaded from the CCDC.
;
_audit_creation_date             2021-03-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H18 F2 O Si'
_chemical_formula_sum            'C21 H18 F2 O Si'
_chemical_formula_weight         352.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'
F F 0.0171 0.0103 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.4472(3)
_cell_length_b                   9.0684(4)
_cell_length_c                   14.4362(8)
_cell_angle_alpha                74.215(4)
_cell_angle_beta                 89.828(4)
_cell_angle_gamma                68.877(4)
_cell_volume                     870.22(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9286
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      33.0090
_cell_measurement_theta_min      2.4970
_shelx_estimated_absorpt_T_max   0.970
_shelx_estimated_absorpt_T_min   0.964
_exptl_absorpt_coefficient_mu    0.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12976
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.668
_diffrn_reflns_theta_min         2.516
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00  65.00   1.00    1.00    --  -25.00  45.00   0.00  180
  2  ω   -115.00  65.00   1.00    1.00    --  -25.00  45.00  90.00  180
  3  ω   -115.00  65.00   1.00    1.00    --  -25.00  45.00 180.00  180
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Rigaku Saturn 70 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0200822000
_diffrn_orient_matrix_UB_12      0.0307050000
_diffrn_orient_matrix_UB_13      0.0406750000
_diffrn_orient_matrix_UB_21      0.0648087000
_diffrn_orient_matrix_UB_22      -0.0767960000
_diffrn_orient_matrix_UB_23      0.0303772000
_diffrn_orient_matrix_UB_31      0.0770717000
_diffrn_orient_matrix_UB_32      0.0289548000
_diffrn_orient_matrix_UB_33      -0.0077030000
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4961
_reflns_number_total             5789
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       0.037(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         5789
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0413
_refine_ls_restrained_S_all      1.032
_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)+(0.0446P)²+0.3265P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1088
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21)
;
_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
Si1 Si 0.50627(4) 0.71666(4) 0.22518(2) 0.01590(9) Uani 1 1 d . . . . .
F1 F 1.14705(13) 0.77080(12) 0.51619(6) 0.0383(2) Uani 1 1 d . . . . .
F2 F 0.77843(14) 0.89958(11) 0.55705(6) 0.0387(2) Uani 1 1 d . . . . .
O1 O 0.56612(12) 0.66624(10) 0.34370(6) 0.01997(17) Uani 1 1 d . . . . .
C1 C 0.70136(17) 0.76927(15) 0.16006(8) 0.0214(2) Uani 1 1 d . . . . .
H1A H 0.663920 0.800942 0.089593 0.026 Uiso 1 1 calc R . . . .
H1B H 0.709237 0.867130 0.175063 0.026 Uiso 1 1 calc R . . . .
C2 C 0.90423(17) 0.63111(17) 0.18397(9) 0.0253(2) Uani 1 1 d . . . . .
H2A H 0.915693 0.558422 0.142231 0.030 Uiso 1 1 calc R . . . .
H2B H 1.002296 0.681738 0.168090 0.030 Uiso 1 1 calc R . . . .
C3 C 0.94977(17) 0.52492(15) 0.29027(9) 0.0230(2) Uani 1 1 d . . . . .
H3A H 0.874098 0.452717 0.301846 0.028 Uiso 1 1 calc R . . . .
H3B H 1.088731 0.452858 0.302161 0.028 Uiso 1 1 calc R . . . .
C4 C 0.90477(16) 0.62516(14) 0.36155(8) 0.0196(2) Uani 1 1 d . . . . .
C5 C 1.04964(18) 0.65301(15) 0.40695(9) 0.0234(2) Uani 1 1 d . . . . .
H5 H 1.179709 0.608218 0.393123 0.028 Uiso 1 1 calc R . . . .
C6 C 1.00569(19) 0.74490(16) 0.47167(9) 0.0260(3) Uani 1 1 d . . . . .
C7 C 0.8180(2) 0.81050(15) 0.49284(9) 0.0263(3) Uani 1 1 d . . . . .
C8 C 0.66994(18) 0.78544(15) 0.45012(8) 0.0228(2) Uani 1 1 d . . . . .
H8 H 0.540848 0.829735 0.465361 0.027 Uiso 1 1 calc R . . . .
C9 C 0.71464(16) 0.69353(13) 0.38407(8) 0.0184(2) Uani 1 1 d . . . . .
C10 C 0.46997(16) 0.53379(13) 0.20506(8) 0.0185(2) Uani 1 1 d . . . . .
C11 C 0.39539(17) 0.54171(15) 0.11404(9) 0.0231(2) Uani 1 1 d . . . . .
H11 H 0.368091 0.639628 0.061978 0.028 Uiso 1 1 calc R . . . .
C12 C 0.36042(19) 0.40919(17) 0.09827(11) 0.0298(3) Uani 1 1 d . . . . .
H12 H 0.309179 0.417225 0.036116 0.036 Uiso 1 1 calc R . . . .
C13 C 0.4007(2) 0.26535(17) 0.17373(12) 0.0334(3) Uani 1 1 d . . . . .
H13 H 0.376478 0.174833 0.163380 0.040 Uiso 1 1 calc R . . . .
C14 C 0.4764(2) 0.25369(16) 0.26418(11) 0.0317(3) Uani 1 1 d . . . . .
H14 H 0.505061 0.154682 0.315576 0.038 Uiso 1 1 calc R . . . .
C15 C 0.51059(17) 0.38675(15) 0.28010(9) 0.0241(2) Uani 1 1 d . . . . .
H15 H 0.561975 0.377687 0.342450 0.029 Uiso 1 1 calc R . . . .
C16 C 0.27622(15) 0.90210(13) 0.19309(8) 0.0167(2) Uani 1 1 d . . . . .
C17 C 0.20162(17) 0.98924(14) 0.09665(8) 0.0213(2) Uani 1 1 d . . . . .
H17 H 0.267801 0.951622 0.046155 0.026 Uiso 1 1 calc R . . . .
C18 C 0.03221(18) 1.13005(16) 0.07324(9) 0.0263(3) Uani 1 1 d . . . . .
H18 H -0.015216 1.188154 0.007344 0.032 Uiso 1 1 calc R . . . .
C19 C -0.06744(18) 1.18548(16) 0.14657(10) 0.0273(3) Uani 1 1 d . . . . .
H19 H -0.183823 1.280590 0.130871 0.033 Uiso 1 1 calc R . . . .
C20 C 0.00397(18) 1.10121(16) 0.24266(10) 0.0261(2) Uani 1 1 d . . . . .
H20 H -0.063413 1.138807 0.292873 0.031 Uiso 1 1 calc R . . . .
C21 C 0.17423(17) 0.96168(14) 0.26551(8) 0.0205(2) Uani 1 1 d . . . . .
H21 H 0.222408 0.905587 0.331529 0.025 Uiso 1 1 calc R . . . .


_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
Si1 O1 1.6635(8) . ?
Si1 C1 1.8627(12) . ?
Si1 C10 1.8691(11) . ?
Si1 C16 1.8660(11) . ?
F1 C6 1.3568(14) . ?
F2 C7 1.3539(14) . ?
O1 C9 1.3798(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.5411(17) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.5366(17) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.5115(16) . ?
C4 C5 1.3957(16) . ?
C4 C9 1.4033(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.3782(18) . ?
C6 C7 1.378(2) . ?
C7 C8 1.3812(18) . ?
C8 H8 0.9500 . ?
C8 C9 1.3947(16) . ?
C10 C11 1.4015(16) . ?
C10 C15 1.4030(17) . ?
C11 H11 0.9500 . ?
C11 C12 1.3923(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.3951(18) . ?
C15 H15 0.9500 . ?
C16 C17 1.4004(15) . ?
C16 C21 1.4031(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.3940(17) . ?
C18 H18 0.9500 . ?
C18 C19 1.3929(19) . ?
C19 H19 0.9500 . ?
C19 C20 1.3877(19) . ?
C20 H20 0.9500 . ?
C20 C21 1.3917(16) . ?
C21 H21 0.9500 . ?

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
O1 Si1 C1 108.76(5) . . ?
O1 Si1 C10 105.27(5) . . ?
O1 Si1 C16 107.67(5) . . ?
C1 Si1 C10 114.42(5) . . ?
C1 Si1 C16 109.37(5) . . ?
C16 Si1 C10 111.06(5) . . ?
C9 O1 Si1 124.01(7) . . ?
Si1 C1 H1A 108.4 . . ?
Si1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.4 . . ?
C2 C1 Si1 115.57(8) . . ?
C2 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
C1 C2 H2A 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
C3 C2 C1 114.05(10) . . ?
C3 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 C2 113.52(10) . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C5 C4 C3 121.45(11) . . ?
C5 C4 C9 117.84(11) . . ?
C9 C4 C3 120.71(10) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.59(12) . . ?
C6 C5 H5 119.7 . . ?
F1 C6 C5 120.45(12) . . ?
F1 C6 C7 119.00(12) . . ?
C7 C6 C5 120.54(11) . . ?
F2 C7 C6 119.49(12) . . ?
F2 C7 C8 119.57(12) . . ?
C6 C7 C8 120.94(11) . . ?
C7 C8 H8 120.8 . . ?
C7 C8 C9 118.38(11) . . ?
C9 C8 H8 120.8 . . ?
O1 C9 C4 120.52(10) . . ?
O1 C9 C8 117.73(10) . . ?
C8 C9 C4 121.71(11) . . ?
C11 C10 Si1 120.42(9) . . ?
C11 C10 C15 117.82(11) . . ?
C15 C10 Si1 121.74(9) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 C10 121.44(12) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.71(13) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.01(12) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.28(13) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 119.6 . . ?
C14 C15 C10 120.74(12) . . ?
C14 C15 H15 119.6 . . ?
C17 C16 Si1 121.68(8) . . ?
C17 C16 C21 117.58(10) . . ?
C21 C16 Si1 120.72(8) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 C16 121.33(11) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 119.93(11) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.73(11) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.05(12) . . ?
C21 C20 H20 120.0 . . ?
C16 C21 H21 119.3 . . ?
C20 C21 C16 121.38(11) . . ?
C20 C21 H21 119.3 . . ?

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
Si1 O1 C9 C4 -58.18(13) . . . . ?
Si1 O1 C9 C8 124.16(10) . . . . ?
Si1 C1 C2 C3 -35.99(13) . . . . ?
Si1 C10 C11 C12 -177.60(9) . . . . ?
Si1 C10 C15 C14 177.87(10) . . . . ?
Si1 C16 C17 C18 -178.38(9) . . . . ?
Si1 C16 C21 C20 179.06(9) . . . . ?
F1 C6 C7 F2 0.25(18) . . . . ?
F1 C6 C7 C8 -179.18(11) . . . . ?
F2 C7 C8 C9 179.86(10) . . . . ?
O1 Si1 C1 C2 59.09(10) . . . . ?
O1 Si1 C10 C11 172.36(9) . . . . ?
O1 Si1 C10 C15 -5.84(11) . . . . ?
O1 Si1 C16 C17 170.89(9) . . . . ?
O1 Si1 C16 C21 -7.43(10) . . . . ?
C1 Si1 O1 C9 12.33(10) . . . . ?
C1 Si1 C10 C11 -68.29(11) . . . . ?
C1 Si1 C10 C15 113.51(10) . . . . ?
C1 Si1 C16 C17 52.87(11) . . . . ?
C1 Si1 C16 C21 -125.45(9) . . . . ?
C1 C2 C3 C4 -48.84(14) . . . . ?
C2 C3 C4 C5 -99.53(13) . . . . ?
C2 C3 C4 C9 80.41(14) . . . . ?
C3 C4 C5 C6 179.93(11) . . . . ?
C3 C4 C9 O1 1.97(16) . . . . ?
C3 C4 C9 C8 179.54(11) . . . . ?
C4 C5 C6 F1 179.54(11) . . . . ?
C4 C5 C6 C7 0.17(18) . . . . ?
C5 C4 C9 O1 -178.09(10) . . . . ?
C5 C4 C9 C8 -0.52(17) . . . . ?
C5 C6 C7 F2 179.63(11) . . . . ?
C5 C6 C7 C8 0.20(19) . . . . ?
C6 C7 C8 C9 -0.71(18) . . . . ?
C7 C8 C9 O1 178.51(10) . . . . ?
C7 C8 C9 C4 0.88(17) . . . . ?
C9 C4 C5 C6 -0.01(17) . . . . ?
C10 Si1 O1 C9 135.38(9) . . . . ?
C10 Si1 C1 C2 -58.28(10) . . . . ?
C10 Si1 C16 C17 -74.36(10) . . . . ?
C10 Si1 C16 C21 107.32(10) . . . . ?
C10 C11 C12 C13 -0.33(19) . . . . ?
C11 C10 C15 C14 -0.37(18) . . . . ?
C11 C12 C13 C14 -0.3(2) . . . . ?
C12 C13 C14 C15 0.6(2) . . . . ?
C13 C14 C15 C10 -0.3(2) . . . . ?
C15 C10 C11 C12 0.66(18) . . . . ?
C16 Si1 O1 C9 -106.08(9) . . . . ?
C16 Si1 C1 C2 176.42(8) . . . . ?
C16 Si1 C10 C11 56.12(11) . . . . ?
C16 Si1 C10 C15 -122.08(10) . . . . ?
C16 C17 C18 C19 -0.72(19) . . . . ?
C17 C16 C21 C20 0.67(17) . . . . ?
C17 C18 C19 C20 0.8(2) . . . . ?
C18 C19 C20 C21 -0.2(2) . . . . ?
C19 C20 C21 C16 -0.59(19) . . . . ?
C21 C16 C17 C18 -0.01(17) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.285
_oxdiff_exptl_absorpt_empirical_full_min 0.712
