# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_ant-s-bf2_autored
_database_code_depnum_ccdc_archive 'CCDC 2339002'
loop_
_audit_author_name
_audit_author_address
'Ashish kumar kushwaha'
;BANARAS HINDU UNIVERSITY
India
;
_audit_update_record             
;
2024-03-09 deposited with the CCDC.	2025-11-03 downloaded from the CCDC.
;
_audit_creation_date             2024-01-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H23 B F2 O2'
_chemical_formula_sum            'C35 H23 B F2 O2'
_chemical_formula_weight         524.34
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H B F O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'

_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                   7.85680(10)
_cell_length_b                   17.9797(2)
_cell_length_c                   18.5135(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.1540(10)
_cell_angle_gamma                90
_cell_volume                     2588.83(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11185
_cell_measurement_temperature    293
_cell_measurement_theta_max      71.9070
_cell_measurement_theta_min      3.4280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.743
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull dark black'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18638
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.018
_diffrn_reflns_theta_min         3.444
_diffrn_ambient_temperature      293
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     62.00  87.00   0.50    0.22    --   40.83-126.00 113.00   50
  2  ω     74.00  99.00   0.50    0.22    --   40.83-145.00 -54.00   50
  3  ω     27.00  78.00   0.50    0.22    --   40.83-104.00 -60.00  102
  4  ω     39.00  72.00   0.50    0.89    --  104.00-133.00-120.00   66
  5  ω     93.00 118.00   0.50    0.89    --  104.00-133.00-120.00   50
  6  ω     61.00  86.00   0.50    0.89    --  104.00-145.00 -54.00   50
  7  ω     61.00  87.00   0.50    0.89    --  104.00-126.00 113.00   52
  8  ω     41.00  66.00   0.50    0.89    --  104.00-133.00 150.00   50
  9  ω     88.00 118.00   0.50    0.89    --  104.00-133.00 150.00   60
 10  ω     69.00 106.00   0.50    0.89    --  104.00 -93.00 120.00   74
 11  ω     67.00 105.00   0.50    0.89    --  104.00 -93.00  30.00   76
 12  ω    -31.00  27.00   0.50    0.22    --   40.83 -21.00 120.00  116
 13  ω     36.00  61.00   0.50    0.89    --  104.00 -68.00 -30.00   50
 14  ω     36.00  64.00   0.50    0.89    --  104.00 -77.00-120.00   56
 15  ω     70.00  96.00   0.50    0.89    --  104.00 -77.00-120.00   52
 16  ω     79.00 105.00   0.50    0.89    --  104.00 -77.00 -90.00   52
 17  ω     50.00  75.00   0.50    0.89    --  104.00 -68.00 -90.00   50
 18  ω     36.00  61.00   0.50    0.89    --  104.00 -59.00-150.00   50
 19  ω     38.00  68.00   0.50    0.89    --  104.00 -59.00 -30.00   60
 20  ω     36.00  68.00   0.50    0.89    --  104.00 -59.00  60.00   64
 21  ω     51.00  78.00   0.50    0.89    --  104.00 -68.00  90.00   54
 22  ω     36.00  61.00   0.50    0.89    --  104.00 -59.00 120.00   50
 23  ω     36.00  71.00   0.50    0.89    --  104.00 -68.00 120.00   70
 24  ω     40.00  65.00   0.50    0.89    --  104.00 -59.00 -60.00   50
 25  ω     37.00  66.00   0.50    0.89    --  104.00 -59.00-180.00   58
 26  ω    137.00 162.00   0.50    0.89    --  104.00  33.00   0.00   50
 27  ω     94.00 148.00   0.50    0.89    --  104.00  33.00 -60.00  108
 28  ω     96.00 121.00   0.50    0.89    --  104.00  33.00   0.00   50
 29  ω     85.00 111.00   0.50    0.89    --  104.00  68.00  30.00   52
 30  ω    120.00 170.00   0.50    0.89    --  104.00  68.00  30.00  100
 31  ω    110.00 170.00   0.50    0.89    --  104.00  42.00 120.00  120
 32  ω    110.00 144.00   0.50    0.89    --  104.00  33.00 150.00   68
 33  ω    140.00 166.00   0.50    0.89    --  104.00 145.00  -1.00   52
 34  ω    123.00 162.00   0.50    0.89    --  104.00 111.00  90.00   78
 35  ω    126.00 164.00   0.50    0.89    --  104.00 111.00  30.00   76
 36  ω     92.00 132.00   0.50    0.89    --  104.00 133.00 -30.00   80
 37  ω    145.00 170.00   0.50    0.89    --  104.00 133.00 -30.00   50
 38  ω     95.00 135.00   0.50    0.89    --  104.00 126.00-169.00   80
 39  ω    105.00 177.00   0.50    0.89    --  104.00  93.00-180.00  144
 40  ω    -24.00  33.00   0.50    0.22    --  -40.83  11.00-180.00  114
 41  ω    -47.00 -17.00   0.50    0.89    --  -82.50  42.00-180.00   60
 42  ω    -83.00 -18.00   0.50    0.89    --  -82.50  68.00-120.00  130
 43  ω    -22.00  30.00   0.50    0.22    --  -40.83  21.00 -60.00  104
 44  ω    -46.00 -20.00   0.50    0.89    --  -82.50  42.00 -30.00   52
 45  ω    -37.00  22.00   0.50    0.22    --  -40.83  32.00  90.00  118
 46  ω   -108.00 -77.00   0.50    0.22    --  -40.83 -32.00   0.00   62
 47  ω    -93.00 -51.00   0.50    0.22    --  -40.83 145.00  -1.00   84
 48  ω    -87.00 -13.00   0.50    0.22    --  -40.83 126.00-169.00  148
 49  ω    -64.00 -29.00   0.50    0.22    --  -40.83 -32.00   0.00   70
 50  ω   -144.00 -71.00   0.50    0.89    --  -82.50 -77.00  30.00  146
 51  ω   -100.00 -72.00   0.50    0.89    --  -82.50-126.00 113.00   56
 52  ω   -107.00 -65.00   0.50    0.22    --  -40.83-145.00 -54.00   84
 53  ω   -126.00 -97.00   0.50    0.89    --  -82.50-145.00 -54.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0341039000
_diffrn_orient_matrix_UB_12      -0.0755681000
_diffrn_orient_matrix_UB_13      0.0385855000
_diffrn_orient_matrix_UB_21      0.0367554000
_diffrn_orient_matrix_UB_22      0.0399863000
_diffrn_orient_matrix_UB_23      0.0741829000
_diffrn_orient_matrix_UB_31      -0.1915874000
_diffrn_orient_matrix_UB_32      -0.0057827000
_diffrn_orient_matrix_UB_33      0.0087606000
_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              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4222
_reflns_number_total             5084
_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 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.244
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5084
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0399
_refine_ls_restrained_S_all      1.066
_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)+(0.0610P)²+0.2262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1152
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C4(H4), C20(H20), C1(H1), C29(H29), C24(H24), C3(H3), C34(H34),
 C17(H17), C27(H27), C25(H25), C12(H12), C31(H31), C26(H26), C7(H7), C14(H14),
 C16(H16), C33(H33), C15(H15), C32(H32), C10(H10), C8(H8), C9(H9)
;
_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
F1 F 0.12943(14) 0.65036(6) 0.51885(5) 0.0814(3) Uani 1 1 d . . . . .
F2 F 0.41937(15) 0.65549(6) 0.54312(5) 0.0874(3) Uani 1 1 d . . . . .
O2 O 0.28203(14) 0.54692(6) 0.56674(5) 0.0629(3) Uani 1 1 d . . . . .
O1 O 0.29468(15) 0.58929(5) 0.44260(5) 0.0638(3) Uani 1 1 d . . . . .
C22 C 0.31946(14) 0.54707(7) 0.22073(6) 0.0448(3) Uani 1 1 d . . . . .
C23 C 0.28316(14) 0.60744(7) 0.17137(6) 0.0447(3) Uani 1 1 d . . . . .
C28 C 0.30243(15) 0.59729(8) 0.09601(6) 0.0478(3) Uani 1 1 d . . . . .
C5 C 0.28647(15) 0.37324(7) 0.71994(7) 0.0471(3) Uani 1 1 d . . . . .
C35 C 0.38153(15) 0.47863(7) 0.19650(6) 0.0460(3) Uani 1 1 d . . . . .
C19 C 0.23960(16) 0.52413(7) 0.41866(7) 0.0483(3) Uani 1 1 d . . . . .
C18 C 0.23771(15) 0.39074(8) 0.78878(7) 0.0478(3) Uani 1 1 d . . . . .
C21 C 0.29672(16) 0.55845(8) 0.29690(6) 0.0488(3) Uani 1 1 d . . . . .
H21 H 0.324954 0.605318 0.316229 0.059 Uiso 1 1 calc R U . . .
C2 C 0.22886(16) 0.48228(7) 0.54059(7) 0.0490(3) Uani 1 1 d . . . . .
C30 C 0.39066(16) 0.46893(8) 0.12018(7) 0.0492(3) Uani 1 1 d . . . . .
C4 C 0.27072(16) 0.43087(8) 0.66379(7) 0.0489(3) Uani 1 1 d . . . . .
H4 H 0.299838 0.478895 0.679643 0.059 Uiso 1 1 calc R U . . .
C20 C 0.23971(17) 0.50894(8) 0.34218(6) 0.0510(3) Uani 1 1 d . . . . .
H20 H 0.198872 0.463255 0.323581 0.061 Uiso 1 1 calc R U . . .
C1 C 0.19536(16) 0.47049(7) 0.46606(6) 0.0488(3) Uani 1 1 d . . . . .
H1 H 0.143202 0.426571 0.447946 0.059 Uiso 1 1 calc R U . . .
C29 C 0.35087(17) 0.52829(8) 0.07270(7) 0.0523(3) Uani 1 1 d . . . . .
H29 H 0.357028 0.521393 0.023354 0.063 Uiso 1 1 calc R U . . .
C24 C 0.22311(17) 0.67792(8) 0.19166(7) 0.0537(3) Uani 1 1 d . . . . .
H24 H 0.204465 0.685606 0.239592 0.064 Uiso 1 1 calc R U . . .
C6 C 0.35979(16) 0.30275(8) 0.70832(7) 0.0525(3) Uani 1 1 d . . . . .
C13 C 0.25277(17) 0.33516(8) 0.84464(7) 0.0545(3) Uani 1 1 d . . . . .
C3 C 0.21925(17) 0.42260(8) 0.59217(7) 0.0525(3) Uani 1 1 d . . . . .
H3 H 0.175742 0.376817 0.574981 0.063 Uiso 1 1 calc R U . . .
C34 C 0.44383(17) 0.41853(8) 0.24340(7) 0.0555(3) Uani 1 1 d . . . . .
H34 H 0.447327 0.423914 0.293549 0.067 Uiso 1 1 calc R U . . .
C17 C 0.17156(18) 0.46125(9) 0.80553(7) 0.0577(3) Uani 1 1 d . . . . .
H17 H 0.159511 0.498395 0.770215 0.069 Uiso 1 1 calc R U . . .
C27 C 0.26735(18) 0.65834(9) 0.04668(7) 0.0587(3) Uani 1 1 d . . . . .
H27 H 0.280495 0.652061 -0.002080 0.070 Uiso 1 1 calc R U . . .
C11 C 0.37467(18) 0.24873(8) 0.76580(9) 0.0598(4) Uani 1 1 d . . . . .
C25 C 0.19233(19) 0.73426(9) 0.14279(8) 0.0609(3) Uani 1 1 d . . . . .
H25 H 0.155133 0.780009 0.158017 0.073 Uiso 1 1 calc R U . . .
C12 C 0.31931(19) 0.26614(9) 0.83141(9) 0.0638(4) Uani 1 1 d . . . . .
H12 H 0.327122 0.230191 0.867849 0.077 Uiso 1 1 calc R U . . .
C31 C 0.44425(19) 0.39922(9) 0.09482(8) 0.0625(4) Uani 1 1 d . . . . .
H31 H 0.444729 0.392339 0.045065 0.075 Uiso 1 1 calc R U . . .
C26 C 0.2159(2) 0.72450(9) 0.06921(8) 0.0637(4) Uani 1 1 d . . . . .
H26 H 0.195779 0.763798 0.036449 0.076 Uiso 1 1 calc R U . . .
C7 C 0.43368(19) 0.28352(9) 0.64452(9) 0.0654(4) Uani 1 1 d . . . . .
H7 H 0.429526 0.317721 0.606625 0.079 Uiso 1 1 calc R U . . .
C14 C 0.1994(2) 0.35224(10) 0.91320(8) 0.0674(4) Uani 1 1 d . . . . .
H14 H 0.207509 0.316013 0.949378 0.081 Uiso 1 1 calc R U . . .
C16 C 0.1255(2) 0.47540(10) 0.87236(8) 0.0678(4) Uani 1 1 d . . . . .
H16 H 0.085548 0.522419 0.882447 0.081 Uiso 1 1 calc R U . . .
C33 C 0.4979(2) 0.35394(9) 0.21673(9) 0.0677(4) Uani 1 1 d . . . . .
H33 H 0.538180 0.316068 0.248889 0.081 Uiso 1 1 calc R U . . .
C15 C 0.1376(2) 0.41978(11) 0.92642(8) 0.0715(5) Uani 1 1 d . . . . .
H15 H 0.102663 0.429835 0.971363 0.086 Uiso 1 1 calc R U . . .
C32 C 0.4943(2) 0.34300(10) 0.14098(10) 0.0725(4) Uani 1 1 d . . . . .
H32 H 0.526094 0.297449 0.123193 0.087 Uiso 1 1 calc R U . . .
C10 C 0.4522(2) 0.17830(9) 0.75522(12) 0.0807(5) Uani 1 1 d . . . . .
H10 H 0.457385 0.142591 0.791808 0.097 Uiso 1 1 calc R U . . .
C8 C 0.5099(2) 0.21637(11) 0.63796(12) 0.0831(5) Uani 1 1 d . . . . .
H8 H 0.557745 0.205768 0.595973 0.100 Uiso 1 1 calc R U . . .
B1 B 0.2816(2) 0.61261(9) 0.51850(8) 0.0588(4) Uani 1 1 d . . . . .
C9 C 0.5175(2) 0.16244(11) 0.69393(14) 0.0905(6) Uani 1 1 d . . . . .
H9 H 0.567541 0.116311 0.688271 0.109 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
F1 B1 1.376(2) . ?
F2 B1 1.3542(19) . ?
O2 C2 1.3048(16) . ?
O2 B1 1.4804(19) . ?
O1 C19 1.3046(16) . ?
O1 B1 1.4838(17) . ?
C22 C23 1.4215(18) . ?
C22 C35 1.4195(18) . ?
C22 C21 1.4608(16) . ?
C23 C28 1.4362(16) . ?
C23 C24 1.4211(19) . ?
C28 C29 1.3845(19) . ?
C28 C27 1.4295(19) . ?
C5 C18 1.4173(18) . ?
C5 C4 1.4605(17) . ?
C5 C6 1.4212(19) . ?
C35 C30 1.4356(16) . ?
C35 C34 1.4285(18) . ?
C19 C20 1.4421(16) . ?
C19 C1 1.3812(18) . ?
C18 C13 1.4310(18) . ?
C18 C17 1.421(2) . ?
C21 H21 0.9300 . ?
C21 C20 1.3424(18) . ?
C2 C1 1.3838(17) . ?
C2 C3 1.4455(18) . ?
C30 C29 1.3897(19) . ?
C30 C31 1.423(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.3386(17) . ?
C20 H20 0.9300 . ?
C1 H1 0.9300 . ?
C29 H29 0.9300 . ?
C24 H24 0.9300 . ?
C24 C25 1.357(2) . ?
C6 C11 1.433(2) . ?
C6 C7 1.430(2) . ?
C13 C12 1.382(2) . ?
C13 C14 1.425(2) . ?
C3 H3 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.354(2) . ?
C17 H17 0.9300 . ?
C17 C16 1.361(2) . ?
C27 H27 0.9300 . ?
C27 C26 1.342(2) . ?
C11 C12 1.383(2) . ?
C11 C10 1.431(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.411(2) . ?
C12 H12 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.346(2) . ?
C26 H26 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.361(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.343(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.409(2) . ?
C33 H33 0.9300 . ?
C33 C32 1.413(2) . ?
C15 H15 0.9300 . ?
C32 H32 0.9300 . ?
C10 H10 0.9300 . ?
C10 C9 1.341(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.414(3) . ?
C9 H9 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
C2 O2 B1 120.90(10) . . ?
C19 O1 B1 120.75(10) . . ?
C23 C22 C21 118.21(12) . . ?
C35 C22 C23 120.35(10) . . ?
C35 C22 C21 121.40(11) . . ?
C22 C23 C28 119.22(12) . . ?
C24 C23 C22 123.70(11) . . ?
C24 C23 C28 117.05(11) . . ?
C29 C28 C23 119.22(12) . . ?
C29 C28 C27 121.70(11) . . ?
C27 C28 C23 119.06(12) . . ?
C18 C5 C4 118.43(12) . . ?
C18 C5 C6 120.08(12) . . ?
C6 C5 C4 121.35(12) . . ?
C22 C35 C30 118.93(11) . . ?
C22 C35 C34 124.55(11) . . ?
C34 C35 C30 116.46(12) . . ?
O1 C19 C20 117.21(11) . . ?
O1 C19 C1 120.83(11) . . ?
C1 C19 C20 121.79(12) . . ?
C5 C18 C13 119.32(13) . . ?
C5 C18 C17 123.25(12) . . ?
C17 C18 C13 117.43(12) . . ?
C22 C21 H21 116.3 . . ?
C20 C21 C22 127.39(13) . . ?
C20 C21 H21 116.3 . . ?
O2 C2 C1 120.81(12) . . ?
O2 C2 C3 117.39(11) . . ?
C1 C2 C3 121.64(12) . . ?
C29 C30 C35 119.41(12) . . ?
C29 C30 C31 121.22(12) . . ?
C31 C30 C35 119.36(12) . . ?
C5 C4 H4 116.2 . . ?
C3 C4 C5 127.54(13) . . ?
C3 C4 H4 116.2 . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.29(12) . . ?
C21 C20 H20 118.9 . . ?
C19 C1 C2 119.81(12) . . ?
C19 C1 H1 120.1 . . ?
C2 C1 H1 120.1 . . ?
C28 C29 C30 122.55(11) . . ?
C28 C29 H29 118.7 . . ?
C30 C29 H29 118.7 . . ?
C23 C24 H24 119.2 . . ?
C25 C24 C23 121.59(12) . . ?
C25 C24 H24 119.2 . . ?
C5 C6 C11 118.95(13) . . ?
C5 C6 C7 124.14(13) . . ?
C7 C6 C11 116.71(14) . . ?
C12 C13 C18 119.58(13) . . ?
C12 C13 C14 121.19(14) . . ?
C14 C13 C18 119.23(14) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.36(13) . . ?
C4 C3 H3 118.8 . . ?
C35 C34 H34 119.1 . . ?
C33 C34 C35 121.70(13) . . ?
C33 C34 H34 119.1 . . ?
C18 C17 H17 119.4 . . ?
C16 C17 C18 121.17(14) . . ?
C16 C17 H17 119.4 . . ?
C28 C27 H27 119.3 . . ?
C26 C27 C28 121.43(13) . . ?
C26 C27 H27 119.3 . . ?
C12 C11 C6 119.74(14) . . ?
C12 C11 C10 120.91(15) . . ?
C10 C11 C6 119.32(16) . . ?
C24 C25 H25 119.5 . . ?
C24 C25 C26 121.02(14) . . ?
C26 C25 H25 119.5 . . ?
C13 C12 C11 122.21(13) . . ?
C13 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C30 C31 H31 119.1 . . ?
C32 C31 C30 121.71(14) . . ?
C32 C31 H31 119.1 . . ?
C27 C26 C25 119.78(14) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C6 C7 H7 119.2 . . ?
C8 C7 C6 121.56(17) . . ?
C8 C7 H7 119.2 . . ?
C13 C14 H14 119.4 . . ?
C15 C14 C13 121.12(14) . . ?
C15 C14 H14 119.4 . . ?
C17 C16 H16 119.6 . . ?
C17 C16 C15 120.89(16) . . ?
C15 C16 H16 119.6 . . ?
C34 C33 H33 119.4 . . ?
C34 C33 C32 121.23(14) . . ?
C32 C33 H33 119.4 . . ?
C14 C15 C16 120.13(15) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C31 C32 C33 119.25(15) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
C11 C10 H10 119.1 . . ?
C9 C10 C11 121.72(18) . . ?
C9 C10 H10 119.1 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 121.10(19) . . ?
C9 C8 H8 119.5 . . ?
F1 B1 O2 108.57(12) . . ?
F1 B1 O1 108.71(13) . . ?
F2 B1 F1 111.79(14) . . ?
F2 B1 O2 108.53(13) . . ?
F2 B1 O1 108.67(12) . . ?
O2 B1 O1 110.57(12) . . ?
C10 C9 C8 119.52(17) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?

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
O2 C2 C1 C19 8.6(2) . . . . ?
O2 C2 C3 C4 -3.5(2) . . . . ?
O1 C19 C20 C21 1.3(2) . . . . ?
O1 C19 C1 C2 -7.8(2) . . . . ?
C22 C23 C28 C29 1.95(17) . . . . ?
C22 C23 C28 C27 -179.42(11) . . . . ?
C22 C23 C24 C25 179.12(12) . . . . ?
C22 C35 C30 C29 4.72(18) . . . . ?
C22 C35 C30 C31 -176.78(12) . . . . ?
C22 C35 C34 C33 178.53(13) . . . . ?
C22 C21 C20 C19 173.36(12) . . . . ?
C23 C22 C35 C30 -6.15(17) . . . . ?
C23 C22 C35 C34 171.00(12) . . . . ?
C23 C22 C21 C20 143.99(14) . . . . ?
C23 C28 C29 C30 -3.45(19) . . . . ?
C23 C28 C27 C26 -0.5(2) . . . . ?
C23 C24 C25 C26 1.2(2) . . . . ?
C28 C23 C24 C25 -2.76(19) . . . . ?
C28 C27 C26 C25 -1.2(2) . . . . ?
C5 C18 C13 C12 1.94(18) . . . . ?
C5 C18 C13 C14 -178.35(12) . . . . ?
C5 C18 C17 C16 179.64(13) . . . . ?
C5 C4 C3 C2 -172.24(13) . . . . ?
C5 C6 C11 C12 -0.58(19) . . . . ?
C5 C6 C11 C10 -178.47(12) . . . . ?
C5 C6 C7 C8 176.63(14) . . . . ?
C35 C22 C23 C28 2.85(17) . . . . ?
C35 C22 C23 C24 -179.07(11) . . . . ?
C35 C22 C21 C20 -38.09(19) . . . . ?
C35 C30 C29 C28 0.1(2) . . . . ?
C35 C30 C31 C32 -3.1(2) . . . . ?
C35 C34 C33 C32 -0.3(2) . . . . ?
C19 O1 B1 F1 -92.40(16) . . . . ?
C19 O1 B1 F2 145.72(14) . . . . ?
C19 O1 B1 O2 26.7(2) . . . . ?
C18 C5 C4 C3 -141.17(14) . . . . ?
C18 C5 C6 C11 3.34(18) . . . . ?
C18 C5 C6 C7 -171.34(12) . . . . ?
C18 C13 C12 C11 0.8(2) . . . . ?
C18 C13 C14 C15 -0.9(2) . . . . ?
C18 C17 C16 C15 -1.8(2) . . . . ?
C21 C22 C23 C28 -179.20(10) . . . . ?
C21 C22 C23 C24 -1.12(17) . . . . ?
C21 C22 C35 C30 175.97(11) . . . . ?
C21 C22 C35 C34 -6.88(18) . . . . ?
C2 O2 B1 F1 93.17(15) . . . . ?
C2 O2 B1 F2 -145.12(13) . . . . ?
C2 O2 B1 O1 -26.0(2) . . . . ?
C30 C35 C34 C33 -4.25(19) . . . . ?
C30 C31 C32 C33 -1.6(3) . . . . ?
C4 C5 C18 C13 -179.76(11) . . . . ?
C4 C5 C18 C17 1.07(18) . . . . ?
C4 C5 C6 C11 178.95(11) . . . . ?
C4 C5 C6 C7 4.27(19) . . . . ?
C20 C19 C1 C2 167.32(13) . . . . ?
C1 C19 C20 C21 -174.04(13) . . . . ?
C1 C2 C3 C4 171.89(13) . . . . ?
C29 C28 C27 C26 178.14(14) . . . . ?
C29 C30 C31 C32 175.41(15) . . . . ?
C24 C23 C28 C29 -176.26(11) . . . . ?
C24 C23 C28 C27 2.37(17) . . . . ?
C24 C25 C26 C27 0.9(2) . . . . ?
C6 C5 C18 C13 -4.01(17) . . . . ?
C6 C5 C18 C17 176.81(12) . . . . ?
C6 C5 C4 C3 43.14(19) . . . . ?
C6 C11 C12 C13 -1.5(2) . . . . ?
C6 C11 C10 C9 2.6(2) . . . . ?
C6 C7 C8 C9 0.6(3) . . . . ?
C13 C18 C17 C16 0.4(2) . . . . ?
C13 C14 C15 C16 -0.4(2) . . . . ?
C3 C2 C1 C19 -166.66(13) . . . . ?
C34 C35 C30 C29 -172.66(12) . . . . ?
C34 C35 C30 C31 5.84(18) . . . . ?
C34 C33 C32 C31 3.4(3) . . . . ?
C17 C18 C13 C12 -178.84(12) . . . . ?
C17 C18 C13 C14 0.87(18) . . . . ?
C17 C16 C15 C14 1.8(2) . . . . ?
C27 C28 C29 C30 177.96(13) . . . . ?
C11 C6 C7 C8 1.8(2) . . . . ?
C11 C10 C9 C8 -0.1(3) . . . . ?
C12 C13 C14 C15 178.81(14) . . . . ?
C12 C11 C10 C9 -175.22(16) . . . . ?
C31 C30 C29 C28 -178.39(13) . . . . ?
C7 C6 C11 C12 174.49(12) . . . . ?
C7 C6 C11 C10 -3.40(19) . . . . ?
C7 C8 C9 C10 -1.6(3) . . . . ?
C14 C13 C12 C11 -178.86(13) . . . . ?
C10 C11 C12 C13 176.32(13) . . . . ?
B1 O2 C2 C1 9.9(2) . . . . ?
B1 O2 C2 C3 -174.71(13) . . . . ?
B1 O1 C19 C20 173.41(13) . . . . ?
B1 O1 C19 C1 -11.2(2) . . . . ?

_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 1.150
_oxdiff_exptl_absorpt_empirical_full_min 0.822
