# 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_262
_database_code_depnum_ccdc_archive 'CCDC 2171748'
loop_
_audit_author_name
_audit_author_address
'Xiao-Gang Yang'
;Luoyang Normal University
China
;
_audit_update_record             
;
2022-05-10 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_audit_creation_date             2021-08-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H23 B F5 O2 S3'
_chemical_formula_sum            'C33 H23 B F5 O2 S3'
_chemical_formula_weight         653.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1H1O1N1F1
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      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                   7.3149(12)
_cell_length_b                   8.4664(13)
_cell_length_c                   25.630(4)
_cell_angle_alpha                93.482(13)
_cell_angle_beta                 94.312(13)
_cell_angle_gamma                100.726(14)
_cell_volume                     1550.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    839
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.6020
_cell_measurement_theta_min      3.8640
_shelx_estimated_absorpt_T_max   0.962
_shelx_estimated_absorpt_T_min   0.924
_exptl_absorpt_coefficient_mu    0.299
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             670
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_av_unetI/netI     0.2890
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.824
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            12166
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.824
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.371
_diffrn_reflns_theta_min         3.299
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00  21.00   1.00   10.00    --  -13.49 -99.00  90.00   28
  2  ω     -1.00  54.00   1.00   10.00    --   14.89 -99.00 -30.00   55
  3  ω     -2.00  81.00   1.00   10.00    --   14.89  57.00-120.00   83
  4  ω    -15.00  82.00   1.00   10.00    --   14.89  19.00-180.00   97
  5  ω     -1.00  75.00   1.00   10.00    --   14.89  77.00  60.00   76
  6  ω     35.00  60.00   1.00   10.00    --   14.89 178.00 120.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0635408000
_diffrn_orient_matrix_UB_12      0.0473838000
_diffrn_orient_matrix_UB_13      -0.0097147000
_diffrn_orient_matrix_UB_21      -0.0249409000
_diffrn_orient_matrix_UB_22      -0.0547339000
_diffrn_orient_matrix_UB_23      -0.0225828000
_diffrn_orient_matrix_UB_31      -0.0718100000
_diffrn_orient_matrix_UB_32      -0.0455216000
_diffrn_orient_matrix_UB_33      0.0130525000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2030
_reflns_number_total             6409
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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         0.406
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.3080
_refine_ls_R_factor_gt           0.1095
_refine_ls_restrained_S_all      1.004
_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)+(0.0670P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2774
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C8(H8), C10(H10), C11(H11), C13(H13),
 C18(H18), C19(H19), C20(H20), C23(H23), C28(H28), C29(H29), C31(H31), C32(H32)
2.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_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 -0.4578(4) -0.4939(3) 0.38545(10) 0.0874(9) Uani 1 1 d . . . . .
S2 S 0.1419(3) 0.2692(3) 0.71167(8) 0.0525(7) Uani 1 1 d . . . . .
S3 S 0.5560(3) 0.9450(3) 0.78705(9) 0.0604(7) Uani 1 1 d . . . . .
F1 F -0.8221(7) 0.0495(7) 0.5726(2) 0.0930(18) Uani 1 1 d . . . . .
F2 F -0.8211(8) -0.1527(7) 0.6245(2) 0.115(2) Uani 1 1 d . . . . .
F3 F 1.4958(8) 1.2665(10) 0.9122(3) 0.153(3) Uani 1 1 d . . . . .
F4 F 1.4315(10) 1.1660(12) 0.9779(3) 0.188(5) Uani 1 1 d . . . . .
F5 F 1.3700(10) 1.3839(11) 0.9624(5) 0.235(6) Uani 1 1 d . . . . .
O1 O -0.6946(8) -0.1652(7) 0.5454(2) 0.0613(16) Uani 1 1 d . . . . .
O2 O -0.5497(7) 0.0231(7) 0.61917(19) 0.0574(16) Uani 1 1 d . . . . .
C1 C -0.5760(16) -0.6332(10) 0.3380(3) 0.071(3) Uani 1 1 d . . . . .
H1 H -0.5200 -0.6830 0.3118 0.085 Uiso 1 1 calc R . . . .
C2 C -0.7574(16) -0.6614(13) 0.3431(4) 0.089(4) Uani 1 1 d . . . . .
H2 H -0.8404 -0.7343 0.3199 0.107 Uiso 1 1 calc R . . . .
C3 C -0.8206(12) -0.5761(13) 0.3853(4) 0.053(3) Uani 1 1 d . . . . .
H3 H -0.899(12) -0.576(13) 0.391(4) 0.063 Uiso 1 1 d R . . . .
C4 C -0.6624(12) -0.4778(10) 0.4114(3) 0.053(2) Uani 1 1 d . . . . .
C5 C -0.6640(12) -0.3719(10) 0.4580(3) 0.059(2) Uani 1 1 d . . . . .
H5 H -0.7805 -0.3656 0.4692 0.071 Uiso 1 1 calc R . . . .
C6 C -0.5167(12) -0.2827(9) 0.4862(3) 0.050(2) Uani 1 1 d . . . . .
H6 H -0.3987 -0.2884 0.4760 0.060 Uiso 1 1 calc R . . . .
C7 C -0.5286(12) -0.1777(9) 0.5318(3) 0.045(2) Uani 1 1 d . . . . .
C8 C -0.3729(11) -0.0900(10) 0.5599(3) 0.052(2) Uani 1 1 d . . . . .
H8 H -0.2558 -0.0957 0.5489 0.062 Uiso 1 1 calc R . . . .
C9 C -0.3856(11) 0.0081(9) 0.6047(3) 0.0398(19) Uani 1 1 d . . . . .
C10 C -0.2241(10) 0.0964(9) 0.6371(3) 0.046(2) Uani 1 1 d . . . . .
H10 H -0.1057 0.0859 0.6284 0.055 Uiso 1 1 calc R . . . .
C11 C -0.2392(11) 0.1916(9) 0.6788(3) 0.046(2) Uani 1 1 d . . . . .
H11 H -0.3592 0.2035 0.6855 0.055 Uiso 1 1 calc R . . . .
C12 C -0.0881(9) 0.2787(9) 0.7149(3) 0.0379(19) Uani 1 1 d . . . . .
C13 C -0.1088(10) 0.3737(9) 0.7579(3) 0.048(2) Uani 1 1 d . . . . .
H13 H -0.2246 0.3931 0.7662 0.057 Uiso 1 1 calc R . . . .
C14 C 0.0582(10) 0.4405(8) 0.7889(3) 0.0367(18) Uani 1 1 d . . . . .
C15 C 0.2079(9) 0.3920(9) 0.7684(3) 0.0400(19) Uani 1 1 d . . . . .
C16 C 0.4094(9) 0.4261(10) 0.7898(3) 0.058(2) Uani 1 1 d . . . . .
H16A H 0.4677 0.3389 0.7784 0.088 Uiso 1 1 calc GR . . . .
H16B H 0.4172 0.4368 0.8274 0.088 Uiso 1 1 calc GR . . . .
H16C H 0.4720 0.5244 0.7771 0.088 Uiso 1 1 calc GR . . . .
C17 C 0.0569(9) 0.5319(9) 0.8385(3) 0.0395(19) Uani 1 1 d . . . . .
C18 C -0.0971(10) 0.4802(10) 0.8741(3) 0.053(2) Uani 1 1 d . . . . .
H18 H -0.2034 0.4006 0.8661 0.064 Uiso 1 1 calc R . . . .
C19 C -0.0439(11) 0.5814(11) 0.9237(3) 0.075(3) Uani 1 1 d . . . . .
H19 H -0.1068 0.5710 0.9539 0.090 Uiso 1 1 calc R . . . .
C20 C 0.1284(10) 0.7043(9) 0.9176(3) 0.052(2) Uani 1 1 d . . . . .
H20 H 0.1900 0.7874 0.9416 0.063 Uiso 1 1 calc R . . . .
C21 C 0.1779(9) 0.6605(8) 0.8630(3) 0.0345(18) Uani 1 1 d . . . . .
C22 C 0.3417(10) 0.7660(9) 0.8423(3) 0.041(2) Uani 1 1 d . . . . .
C23 C 0.5082(10) 0.8255(9) 0.8747(3) 0.051(2) Uani 1 1 d . . . . .
H23 H 0.5255 0.8010 0.9094 0.061 Uiso 1 1 calc R . . . .
C24 C 0.6409(11) 0.9221(9) 0.8504(3) 0.051(2) Uani 1 1 d . . . . .
C25 C 0.3431(10) 0.8187(9) 0.7932(3) 0.042(2) Uani 1 1 d . . . . .
C26 C 0.1902(11) 0.8004(10) 0.7497(3) 0.059(2) Uani 1 1 d . . . . .
H26A H 0.2038 0.8968 0.7313 0.089 Uiso 1 1 calc GR . . . .
H26B H 0.0713 0.7822 0.7641 0.089 Uiso 1 1 calc GR . . . .
H26C H 0.1975 0.7104 0.7258 0.089 Uiso 1 1 calc GR . . . .
C27 C 0.8271(10) 1.0052(9) 0.8714(3) 0.045(2) Uani 1 1 d . . . . .
C28 C 0.8556(11) 1.0533(10) 0.9266(4) 0.069(3) Uani 1 1 d . . . . .
H28 H 0.7567 1.0334 0.9476 0.082 Uiso 1 1 calc R . . . .
C29 C 1.0375(12) 1.1322(9) 0.9491(3) 0.056(2) Uani 1 1 d . . . . .
H29 H 1.0560 1.1613 0.9849 0.068 Uiso 1 1 calc R . . . .
C30 C 1.1820(13) 1.1651(11) 0.9194(4) 0.063(3) Uani 1 1 d . . . . .
C31 C 1.1557(11) 1.1213(9) 0.8664(4) 0.057(2) Uani 1 1 d . . . . .
H31 H 1.2551 1.1418 0.8457 0.068 Uiso 1 1 calc R . . . .
C32 C 0.9687(12) 1.0416(10) 0.8428(3) 0.054(2) Uani 1 1 d . . . . .
H32 H 0.9504 1.0166 0.8067 0.065 Uiso 1 1 calc R . . . .
C33 C 1.3641(15) 1.2398(16) 0.9415(5) 0.089(4) Uani 1 1 d . . . . .
B1 B -0.7252(16) -0.0650(15) 0.5915(4) 0.063(3) 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
S1 C1 1.705(9) . ?
S1 C4 1.707(8) . ?
S2 C12 1.707(7) . ?
S2 C15 1.719(8) . ?
S3 C24 1.730(8) . ?
S3 C25 1.740(7) . ?
F1 B1 1.391(12) . ?
F2 B1 1.317(11) . ?
F3 C33 1.261(11) . ?
F4 C33 1.274(12) . ?
F5 C33 1.294(13) . ?
O1 C7 1.309(8) . ?
O1 B1 1.467(11) . ?
O2 C9 1.309(8) . ?
O2 B1 1.466(11) . ?
C1 H1 0.9300 . ?
C1 C2 1.322(11) . ?
C2 H2 0.9300 . ?
C2 C3 1.418(14) . ?
C3 H3 0.61(8) . ?
C3 C4 1.391(12) . ?
C4 C5 1.451(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.330(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.441(10) . ?
C7 C8 1.365(10) . ?
C8 H8 0.9300 . ?
C8 C9 1.396(9) . ?
C9 C10 1.447(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.322(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.443(9) . ?
C12 C13 1.359(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.409(9) . ?
C14 C15 1.367(9) . ?
C14 C17 1.451(9) . ?
C15 C16 1.502(9) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.520(9) . ?
C17 C21 1.355(9) . ?
C18 H18 0.9300 . ?
C18 C19 1.475(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.502(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.514(9) . ?
C21 C22 1.506(9) . ?
C22 C23 1.413(9) . ?
C22 C25 1.361(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.362(9) . ?
C24 C27 1.459(10) . ?
C25 C26 1.498(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.435(10) . ?
C27 C32 1.316(9) . ?
C28 H28 0.9300 . ?
C28 C29 1.434(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.346(10) . ?
C30 C31 1.374(10) . ?
C30 C33 1.423(12) . ?
C31 H31 0.9300 . ?
C31 C32 1.475(10) . ?
C32 H32 0.9300 . ?

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
C1 S1 C4 90.4(5) . . ?
C12 S2 C15 92.4(4) . . ?
C24 S3 C25 92.8(4) . . ?
C7 O1 B1 123.4(7) . . ?
C9 O2 B1 122.8(7) . . ?
S1 C1 H1 124.4 . . ?
C2 C1 S1 111.2(8) . . ?
C2 C1 H1 124.4 . . ?
C1 C2 H2 121.3 . . ?
C1 C2 C3 117.5(10) . . ?
C3 C2 H2 121.3 . . ?
C2 C3 H3 130(10) . . ?
C4 C3 C2 106.2(8) . . ?
C4 C3 H3 123(10) . . ?
C3 C4 S1 114.7(7) . . ?
C3 C4 C5 124.3(8) . . ?
C5 C4 S1 120.9(7) . . ?
C4 C5 H5 116.5 . . ?
C6 C5 C4 127.0(8) . . ?
C6 C5 H5 116.5 . . ?
C5 C6 H6 117.9 . . ?
C5 C6 C7 124.1(8) . . ?
C7 C6 H6 117.9 . . ?
O1 C7 C6 118.2(8) . . ?
O1 C7 C8 119.9(8) . . ?
C8 C7 C6 121.9(8) . . ?
C7 C8 H8 119.3 . . ?
C7 C8 C9 121.4(8) . . ?
C9 C8 H8 119.3 . . ?
O2 C9 C8 119.9(7) . . ?
O2 C9 C10 116.9(7) . . ?
C8 C9 C10 123.2(8) . . ?
C9 C10 H10 118.9 . . ?
C11 C10 C9 122.3(7) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 H11 116.7 . . ?
C10 C11 C12 126.6(7) . . ?
C12 C11 H11 116.7 . . ?
C11 C12 S2 124.9(6) . . ?
C13 C12 S2 110.1(6) . . ?
C13 C12 C11 125.0(7) . . ?
C12 C13 H13 122.5 . . ?
C12 C13 C14 115.0(7) . . ?
C14 C13 H13 122.5 . . ?
C13 C14 C17 121.4(7) . . ?
C15 C14 C13 110.9(7) . . ?
C15 C14 C17 127.3(7) . . ?
C14 C15 S2 111.6(5) . . ?
C14 C15 C16 129.2(7) . . ?
C16 C15 S2 119.1(5) . . ?
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 . . ?
C14 C17 C18 119.7(6) . . ?
C21 C17 C14 131.7(7) . . ?
C21 C17 C18 108.5(7) . . ?
C17 C18 H18 126.9 . . ?
C19 C18 C17 106.2(6) . . ?
C19 C18 H18 126.9 . . ?
C18 C19 H19 125.6 . . ?
C18 C19 C20 108.9(6) . . ?
C20 C19 H19 125.6 . . ?
C19 C20 H20 128.3 . . ?
C19 C20 C21 103.5(6) . . ?
C21 C20 H20 128.3 . . ?
C17 C21 C20 112.6(6) . . ?
C17 C21 C22 129.2(7) . . ?
C22 C21 C20 118.1(6) . . ?
C23 C22 C21 121.1(6) . . ?
C25 C22 C21 125.0(7) . . ?
C25 C22 C23 113.9(6) . . ?
C22 C23 H23 123.1 . . ?
C24 C23 C22 113.8(7) . . ?
C24 C23 H23 123.1 . . ?
C23 C24 S3 109.9(6) . . ?
C23 C24 C27 129.1(7) . . ?
C27 C24 S3 121.0(6) . . ?
C22 C25 S3 109.6(5) . . ?
C22 C25 C26 130.6(7) . . ?
C26 C25 S3 119.3(5) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C24 117.7(7) . . ?
C32 C27 C24 124.0(8) . . ?
C32 C27 C28 118.3(8) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.5(8) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.3 . . ?
C30 C29 C28 121.4(8) . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C31 119.6(8) . . ?
C29 C30 C33 121.8(10) . . ?
C31 C30 C33 118.6(10) . . ?
C30 C31 H31 120.2 . . ?
C30 C31 C32 119.6(8) . . ?
C32 C31 H31 120.2 . . ?
C27 C32 C31 121.6(8) . . ?
C27 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
F3 C33 F4 102.8(10) . . ?
F3 C33 F5 100.4(10) . . ?
F3 C33 C30 119.6(12) . . ?
F4 C33 F5 104.8(13) . . ?
F4 C33 C30 114.8(10) . . ?
F5 C33 C30 112.6(11) . . ?
F1 B1 O1 106.3(8) . . ?
F1 B1 O2 107.1(8) . . ?
F2 B1 F1 110.9(9) . . ?
F2 B1 O1 111.0(9) . . ?
F2 B1 O2 109.0(8) . . ?
O2 B1 O1 112.4(8) . . ?

_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 2.049
_oxdiff_exptl_absorpt_empirical_full_min 0.652
