# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_w
_database_code_depnum_ccdc_archive 'CCDC 2115384'
loop_
_audit_author_name
_audit_author_address
taoxiangzhang
;Nanjing University
China
;
_audit_update_record             
;
2021-10-13 deposited with the CCDC.	2022-01-17 downloaded from the CCDC.
;
_audit_creation_date             2021-05-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H26 B F O4 S'
_chemical_formula_sum            'C17 H26 B F O4 S'
_chemical_formula_weight         356.25
_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 0.0033 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'
B B 0.0013 0.0007 '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'
S S 0.1246 0.1234 '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                   11.1868(10)
_cell_length_b                   10.5562(9)
_cell_length_c                   15.7691(15)
_cell_angle_alpha                90
_cell_angle_beta                 106.700(3)
_cell_angle_gamma                90
_cell_volume                     1783.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5881
_cell_measurement_temperature    193
_cell_measurement_theta_max      28.262
_cell_measurement_theta_min      2.354
_shelx_estimated_absorpt_T_max   0.975
_shelx_estimated_absorpt_T_min   0.965
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.7180
_exptl_absorpt_correction_T_min  0.6025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1388 before and 0.1028 after correction.
The Ratio of minimum to maximum transmission is 0.8391.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0771
_diffrn_reflns_av_unetI/netI     0.0753
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15928
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         2.354
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3473
_reflns_number_total             4404
_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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         4404
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0613
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0924P)²+1.0020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.1860
_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:
 C4(H4), C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6)
2.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C),
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_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
B1 B 0.4310(2) 0.5065(2) 0.21847(15) 0.0255(5) Uani 1 1 d . . . . .
C1 C 0.9747(2) 0.7175(2) 0.46551(17) 0.0392(5) Uani 1 1 d . . . . .
H1A H 1.066172 0.704629 0.486175 0.047 Uiso 1 1 calc R U . . .
H1B H 0.957555 0.807861 0.474240 0.047 Uiso 1 1 calc R U . . .
C2 C 0.9143(2) 0.6378(2) 0.51807(15) 0.0345(5) Uani 1 1 d . . . . .
C3 C 0.8288(2) 0.5511(2) 0.48934(15) 0.0306(5) Uani 1 1 d . . . . .
H3 H 0.800061 0.504788 0.531284 0.037 Uiso 1 1 calc R U . . .
C4 C 0.77396(18) 0.52154(19) 0.39226(13) 0.0245(4) Uani 1 1 d . . . . .
H4 H 0.791546 0.430301 0.383665 0.029 Uiso 1 1 calc R U . . .
C5 C 0.84010(18) 0.5988(2) 0.33894(14) 0.0260(4) Uani 1 1 d . . . . .
C6 C 0.92765(19) 0.6855(2) 0.36978(16) 0.0319(5) Uani 1 1 d . . . . .
H6 H 0.961590 0.728836 0.329186 0.038 Uiso 1 1 calc R U . . .
C7 C 0.62798(18) 0.53921(19) 0.36096(13) 0.0230(4) Uani 1 1 d . . . . .
C8 C 0.5943(2) 0.6733(2) 0.38186(16) 0.0329(5) Uani 1 1 d . . . . .
H8A H 0.641108 0.734577 0.357236 0.049 Uiso 1 1 calc R U . . .
H8B H 0.615473 0.684414 0.446182 0.049 Uiso 1 1 calc R U . . .
H8C H 0.504599 0.687123 0.355607 0.049 Uiso 1 1 calc R U . . .
C9 C 0.5696(2) 0.4430(2) 0.41017(15) 0.0318(5) Uani 1 1 d . . . . .
H9A H 0.478609 0.452306 0.391014 0.048 Uiso 1 1 calc R U . . .
H9B H 0.600926 0.458199 0.474052 0.048 Uiso 1 1 calc R U . . .
H9C H 0.591973 0.357019 0.396897 0.048 Uiso 1 1 calc R U . . .
C10 C 0.57793(18) 0.50741(19) 0.26116(13) 0.0244(4) Uani 1 1 d . . . . .
H10 H 0.607313 0.419649 0.254051 0.029 Uiso 1 1 calc R U . . .
C11 C 0.63101(19) 0.5937(2) 0.20123(14) 0.0307(5) Uani 1 1 d . . . . .
H11A H 0.614270 0.683553 0.211771 0.037 Uiso 1 1 calc R U . . .
H11B H 0.589414 0.574070 0.138253 0.037 Uiso 1 1 calc R U . . .
C12 C 0.2511(2) 0.4625(2) 0.11108(15) 0.0314(5) Uani 1 1 d . . . . .
C13 C 0.1723(3) 0.3444(3) 0.0849(2) 0.0582(8) Uani 1 1 d . . . . .
H13A H 0.198086 0.298900 0.038914 0.087 Uiso 1 1 calc R U . . .
H13B H 0.084236 0.368322 0.062126 0.087 Uiso 1 1 calc R U . . .
H13C H 0.183641 0.289586 0.136786 0.087 Uiso 1 1 calc R U . . .
C14 C 0.2530(3) 0.5348(3) 0.02911(19) 0.0533(7) Uani 1 1 d . . . . .
H14A H 0.299988 0.613694 0.046203 0.080 Uiso 1 1 calc R U . . .
H14B H 0.167272 0.554697 -0.005494 0.080 Uiso 1 1 calc R U . . .
H14C H 0.292934 0.483228 -0.006700 0.080 Uiso 1 1 calc R U . . .
C15 C 0.2217(2) 0.5444(2) 0.18420(15) 0.0337(5) Uani 1 1 d . . . . .
C16 C 0.1670(3) 0.4726(4) 0.2468(2) 0.0621(9) Uani 1 1 d . . . . .
H16A H 0.218030 0.397436 0.268659 0.093 Uiso 1 1 calc R U . . .
H16B H 0.081667 0.446425 0.215594 0.093 Uiso 1 1 calc R U . . .
H16C H 0.165902 0.527151 0.296820 0.093 Uiso 1 1 calc R U . . .
C17 C 0.1432(2) 0.6618(3) 0.1501(2) 0.0477(6) Uani 1 1 d . . . . .
H17A H 0.130256 0.709080 0.200257 0.072 Uiso 1 1 calc R U . . .
H17B H 0.062286 0.636189 0.110340 0.072 Uiso 1 1 calc R U . . .
H17C H 0.186720 0.715710 0.117920 0.072 Uiso 1 1 calc R U . . .
F1 F 0.95923(15) 0.66122(17) 0.60684(10) 0.0520(4) Uani 1 1 d . . . . .
O1 O 0.84482(17) 0.6634(2) 0.17890(12) 0.0478(5) Uani 1 1 d . . . . .
O2 O 0.81524(17) 0.43828(17) 0.21001(12) 0.0414(4) Uani 1 1 d . . . . .
O3 O 0.37950(15) 0.42188(17) 0.15347(12) 0.0393(4) Uani 1 1 d . . . . .
O4 O 0.34695(15) 0.58802(18) 0.23536(12) 0.0402(4) Uani 1 1 d . . . . .
S1 S 0.79315(5) 0.56956(6) 0.22441(4) 0.03105(18) Uani 1 1 d . . . . .


_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
B1 C10 1.587(3) . ?
B1 O3 1.357(3) . ?
B1 O4 1.356(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.474(4) . ?
C1 C6 1.488(3) . ?
C2 C3 1.307(3) . ?
C2 F1 1.367(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.509(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.509(3) . ?
C4 C7 1.576(3) . ?
C5 C6 1.327(3) . ?
C5 S1 1.757(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.525(3) . ?
C7 C9 1.533(3) . ?
C7 C10 1.548(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.549(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 S1 1.763(2) . ?
C12 C13 1.513(3) . ?
C12 C14 1.507(3) . ?
C12 C15 1.551(3) . ?
C12 O3 1.463(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.506(3) . ?
C15 C17 1.525(3) . ?
C15 O4 1.476(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
O1 S1 1.4383(17) . ?
O2 S1 1.4371(18) . ?

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 B1 C10 119.18(18) . . ?
O4 B1 C10 127.2(2) . . ?
O4 B1 O3 113.47(19) . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 C6 110.80(19) . . ?
C6 C1 H1A 109.5 . . ?
C6 C1 H1B 109.5 . . ?
C3 C2 C1 127.8(2) . . ?
C3 C2 F1 119.9(2) . . ?
F1 C2 C1 112.3(2) . . ?
C2 C3 H3 118.6 . . ?
C2 C3 C4 122.7(2) . . ?
C4 C3 H3 118.6 . . ?
C3 C4 H4 107.3 . . ?
C3 C4 C5 109.38(17) . . ?
C3 C4 C7 112.10(16) . . ?
C5 C4 H4 107.3 . . ?
C5 C4 C7 113.04(16) . . ?
C7 C4 H4 107.3 . . ?
C4 C5 S1 115.34(15) . . ?
C6 C5 C4 126.7(2) . . ?
C6 C5 S1 117.98(17) . . ?
C1 C6 H6 118.8 . . ?
C5 C6 C1 122.5(2) . . ?
C5 C6 H6 118.8 . . ?
C8 C7 C4 109.91(16) . . ?
C8 C7 C9 109.74(17) . . ?
C8 C7 C10 112.42(17) . . ?
C9 C7 C4 108.47(16) . . ?
C9 C7 C10 106.77(16) . . ?
C10 C7 C4 109.41(15) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B1 C10 H10 106.3 . . ?
C7 C10 B1 117.42(16) . . ?
C7 C10 H10 106.3 . . ?
C7 C10 C11 113.75(17) . . ?
C11 C10 B1 106.07(16) . . ?
C11 C10 H10 106.3 . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
C10 C11 S1 109.91(14) . . ?
H11A C11 H11B 108.2 . . ?
S1 C11 H11A 109.7 . . ?
S1 C11 H11B 109.7 . . ?
C13 C12 C15 115.5(2) . . ?
C14 C12 C13 109.5(2) . . ?
C14 C12 C15 114.4(2) . . ?
O3 C12 C13 107.6(2) . . ?
O3 C12 C14 106.6(2) . . ?
O3 C12 C15 102.35(17) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C12 114.8(2) . . ?
C16 C15 C17 109.8(2) . . ?
C17 C15 C12 114.5(2) . . ?
O4 C15 C12 102.09(16) . . ?
O4 C15 C16 107.4(2) . . ?
O4 C15 C17 107.4(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
B1 O3 C12 107.48(17) . . ?
B1 O4 C15 107.31(18) . . ?
C5 S1 C11 99.99(10) . . ?
O1 S1 C5 110.33(11) . . ?
O1 S1 C11 109.51(11) . . ?
O2 S1 C5 108.52(11) . . ?
O2 S1 C11 108.67(11) . . ?
O2 S1 O1 118.25(11) . . ?

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
B1 C10 C11 S1 -164.65(15) . . . . ?
C1 C2 C3 C4 -2.0(4) . . . . ?
C2 C1 C6 C5 2.0(3) . . . . ?
C2 C3 C4 C5 4.3(3) . . . . ?
C2 C3 C4 C7 -121.9(2) . . . . ?
C3 C4 C5 C6 -3.9(3) . . . . ?
C3 C4 C5 S1 176.73(14) . . . . ?
C3 C4 C7 C8 56.1(2) . . . . ?
C3 C4 C7 C9 -63.8(2) . . . . ?
C3 C4 C7 C10 -179.97(17) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
C4 C5 S1 C11 54.21(17) . . . . ?
C4 C5 S1 O1 169.48(15) . . . . ?
C4 C5 S1 O2 -59.48(17) . . . . ?
C4 C7 C10 B1 174.27(17) . . . . ?
C4 C7 C10 C11 -61.1(2) . . . . ?
C5 C4 C7 C8 -68.1(2) . . . . ?
C5 C4 C7 C9 171.97(17) . . . . ?
C5 C4 C7 C10 55.8(2) . . . . ?
C6 C1 C2 C3 -1.4(4) . . . . ?
C6 C1 C2 F1 177.51(19) . . . . ?
C6 C5 S1 C11 -125.26(18) . . . . ?
C6 C5 S1 O1 -10.0(2) . . . . ?
C6 C5 S1 O2 121.05(18) . . . . ?
C7 C4 C5 C6 121.8(2) . . . . ?
C7 C4 C5 S1 -57.6(2) . . . . ?
C7 C10 C11 S1 64.8(2) . . . . ?
C8 C7 C10 B1 -63.3(2) . . . . ?
C8 C7 C10 C11 61.3(2) . . . . ?
C9 C7 C10 B1 57.1(2) . . . . ?
C9 C7 C10 C11 -178.26(17) . . . . ?
C10 B1 O3 C12 -165.54(19) . . . . ?
C10 B1 O4 C15 -176.5(2) . . . . ?
C10 C11 S1 C5 -55.15(17) . . . . ?
C10 C11 S1 O1 -171.05(15) . . . . ?
C10 C11 S1 O2 58.43(18) . . . . ?
C12 C15 O4 B1 -21.3(2) . . . . ?
C13 C12 C15 C16 27.0(3) . . . . ?
C13 C12 C15 C17 -101.5(3) . . . . ?
C13 C12 C15 O4 142.8(2) . . . . ?
C13 C12 O3 B1 -145.0(2) . . . . ?
C14 C12 C15 C16 155.5(2) . . . . ?
C14 C12 C15 C17 27.1(3) . . . . ?
C14 C12 C15 O4 -88.6(2) . . . . ?
C14 C12 O3 B1 97.6(2) . . . . ?
C15 C12 O3 B1 -22.9(2) . . . . ?
C16 C15 O4 B1 99.8(2) . . . . ?
C17 C15 O4 B1 -142.1(2) . . . . ?
F1 C2 C3 C4 179.17(19) . . . . ?
O3 B1 C10 C7 -145.3(2) . . . . ?
O3 B1 C10 C11 86.3(2) . . . . ?
O3 B1 O4 C15 7.9(3) . . . . ?
O3 C12 C15 C16 -89.6(2) . . . . ?
O3 C12 C15 C17 142.0(2) . . . . ?
O3 C12 C15 O4 26.3(2) . . . . ?
O4 B1 C10 C7 39.3(3) . . . . ?
O4 B1 C10 C11 -89.1(3) . . . . ?
O4 B1 O3 C12 10.4(3) . . . . ?
S1 C5 C6 C1 -179.77(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
