# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_cu_250522kwg_0m
_database_code_depnum_ccdc_archive 'CCDC 2476187'
loop_
_audit_author_name
_audit_author_address
'Kong Weiguang'
;Nanyang Normal University
China
;
_audit_update_record             
;
2025-07-26 deposited with the CCDC.	2026-06-16 downloaded from the CCDC.
;
_audit_creation_date             2025-06-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7205)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H16 F6 N4, 0.375[CHCl3]'
_chemical_formula_sum            'C24.38 H16.38 Cl1.12 F6 N4'
_chemical_formula_weight         519.06
_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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 '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                   9.7678(2)
_cell_length_b                   12.1100(2)
_cell_length_c                   13.3203(2)
_cell_angle_alpha                63.4210(10)
_cell_angle_beta                 69.0030(10)
_cell_angle_gamma                77.5570(10)
_cell_volume                     1312.68(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    297.00
_cell_measurement_theta_max      68.33
_cell_measurement_theta_min      5.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.961
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.3657
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1572 before and 0.0786 after correction.
The Ratio of minimum to maximum transmission is 0.4856.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             527
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_Laue_measured_fraction_full 0.956
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15883
_diffrn_reflns_point_group_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.334
_diffrn_reflns_theta_min         5.350
_diffrn_ambient_temperature      297.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4124
_reflns_number_total             4601
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         0.713
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4601
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0786
_refine_ls_restrained_S_all      1.049
_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)+(0.1676P)²+0.4693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2444
_refine_ls_wR_factor_ref         0.2544
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N007(H007), C00E(H00E), C00H(H00H), C00I(H00I), C00L(H00L), C00M(H00M),
 C00N(H00N), C00O(H00O), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y)
;
_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
F001 F 0.6491(2) 0.58261(16) 0.31197(14) 0.0771(5) Uani 1 1 d . . . . .
F002 F 0.6415(2) 0.71270(13) 0.38000(16) 0.0817(6) Uani 1 1 d . . . . .
N003 N 0.6099(2) 0.70449(16) 0.63094(18) 0.0499(5) Uani 1 1 d . . . . .
N004 N 0.6852(2) 0.32377(15) 0.62298(15) 0.0429(4) Uani 1 1 d . . . . .
N005 N 0.6874(2) 0.39192(16) 0.50948(16) 0.0456(5) Uani 1 1 d . . . . .
F006 F 0.8474(2) 0.6315(2) 0.31062(17) 0.1028(8) Uani 1 1 d . . . . .
N007 N 0.4728(2) 0.68855(18) 0.6446(2) 0.0543(5) Uani 1 1 d . . . . .
H007 H 0.452543 0.622546 0.645217 0.065 Uiso 1 1 calc R U . . .
C008 C 0.6995(2) 0.51485(18) 0.59400(19) 0.0431(5) Uani 1 1 d . . . . .
F009 F 0.8726(3) 0.7488(3) 0.6032(4) 0.1517(15) Uani 1 1 d . . . . .
C00A C 0.7136(3) 0.62566(19) 0.6090(2) 0.0485(5) Uani 1 1 d . . . . .
C00B C 0.6929(2) 0.39424(18) 0.67673(19) 0.0433(5) Uani 1 1 d . . . . .
C00C C 0.6707(3) 0.19283(18) 0.6721(2) 0.0474(5) Uani 1 1 d . . . . .
C00D C 0.6971(2) 0.50688(18) 0.49248(19) 0.0434(5) Uani 1 1 d . . . . .
C00E C 0.7579(3) 0.1275(2) 0.6062(2) 0.0582(6) Uani 1 1 d . . . . .
H00E H 0.825696 0.167057 0.533775 0.070 Uiso 1 1 calc R U . . .
C00F C 0.3612(3) 0.7806(2) 0.65817(19) 0.0478(5) Uani 1 1 d . . . . .
C00G C 0.6995(3) 0.3426(2) 0.7982(2) 0.0534(6) Uani 1 1 d . . . . .
C00H C 0.3932(3) 0.8955(2) 0.6399(2) 0.0580(6) Uani 1 1 d . . . . .
H00H H 0.490097 0.913699 0.618365 0.070 Uiso 1 1 calc R U . . .
C00I C 0.5699(3) 0.1367(2) 0.7788(2) 0.0633(7) Uani 1 1 d . . . . .
H00I H 0.510228 0.182056 0.821257 0.076 Uiso 1 1 calc R U . . .
C00J C 0.7110(3) 0.6074(2) 0.3735(2) 0.0525(6) Uani 1 1 d . . . . .
F00K F 0.9307(3) 0.5595(3) 0.6569(4) 0.1714(18) Uani 1 1 d . . . . .
C00L C 0.7419(4) 0.0016(2) 0.6506(3) 0.0765(9) Uani 1 1 d . . . . .
H00L H 0.798243 -0.043490 0.606934 0.092 Uiso 1 1 calc R U . . .
C00M C 0.2796(4) 0.9825(3) 0.6541(3) 0.0770(8) Uani 1 1 d . . . . .
H00M H 0.300502 1.059638 0.642175 0.092 Uiso 1 1 calc R U . . .
C00N C 0.2170(3) 0.7540(3) 0.6911(2) 0.0625(7) Uani 1 1 d . . . . .
H00N H 0.195474 0.676547 0.704557 0.075 Uiso 1 1 calc R U . . .
C00O C 0.6019(4) 0.3877(3) 0.8783(3) 0.0782(9) Uani 1 1 d . . . . .
H00O H 0.530741 0.450025 0.855555 0.094 Uiso 1 1 calc R U . . .
C00P C 0.8644(3) 0.6519(2) 0.5941(3) 0.0661(8) Uani 1 1 d . . . . .
F00Q F 0.9553(3) 0.6628(5) 0.4903(4) 0.1798(19) Uani 1 1 d . . . . .
C00R C 0.6439(5) -0.0562(2) 0.7578(4) 0.0874(11) Uani 1 1 d . . . . .
H00R H 0.634847 -0.140714 0.787274 0.105 Uiso 1 1 calc R U . . .
C00S C 0.5591(4) 0.0092(3) 0.8221(3) 0.0838(10) Uani 1 1 d . . . . .
H00S H 0.493501 -0.031472 0.895515 0.101 Uiso 1 1 calc R U . . .
C00T C 0.8060(4) 0.2496(3) 0.8341(3) 0.0751(8) Uani 1 1 d . . . . .
H00T H 0.873176 0.218605 0.781352 0.090 Uiso 1 1 calc R U . . .
C00U C 0.1361(4) 0.9570(3) 0.6856(3) 0.0837(10) Uani 1 1 d . . . . .
H00U H 0.060483 1.016687 0.694311 0.100 Uiso 1 1 calc R U . . .
C00V C 0.1048(3) 0.8426(3) 0.7041(3) 0.0759(8) Uani 1 1 d . . . . .
H00V H 0.007724 0.825006 0.725473 0.091 Uiso 1 1 calc R U . . .
C00W C 0.6094(7) 0.3402(5) 0.9932(3) 0.1107(15) Uani 1 1 d . . . . .
H00W H 0.544219 0.371016 1.046760 0.133 Uiso 1 1 calc R U . . .
C00X C 0.7138(7) 0.2477(4) 1.0261(3) 0.1085(15) Uani 1 1 d . . . . .
H00X H 0.718045 0.214599 1.102861 0.130 Uiso 1 1 calc R U . . .
C00Y C 0.8114(6) 0.2039(4) 0.9476(4) 0.1031(13) Uani 1 1 d . . . . .
H00Y H 0.882713 0.142150 0.970974 0.124 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
F001 C00J 1.335(3) . ?
F002 C00J 1.333(3) . ?
N003 N007 1.330(3) . ?
N003 C00A 1.282(3) . ?
N004 N005 1.355(2) . ?
N004 C00B 1.363(3) . ?
N004 C00C 1.437(3) . ?
N005 C00D 1.326(3) . ?
F006 C00J 1.308(3) . ?
N007 H007 0.8600 . ?
N007 C00F 1.407(3) . ?
C008 C00A 1.483(3) . ?
C008 C00B 1.379(3) . ?
C008 C00D 1.407(3) . ?
F009 C00P 1.254(3) . ?
C00A C00P 1.498(3) . ?
C00B C00G 1.472(3) . ?
C00C C00E 1.385(4) . ?
C00C C00I 1.368(4) . ?
C00D C00J 1.484(3) . ?
C00E H00E 0.9300 . ?
C00E C00L 1.388(4) . ?
C00F C00H 1.387(3) . ?
C00F C00N 1.381(4) . ?
C00G C00O 1.383(4) . ?
C00G C00T 1.396(4) . ?
C00H H00H 0.9300 . ?
C00H C00M 1.379(4) . ?
C00I H00I 0.9300 . ?
C00I C00S 1.400(4) . ?
F00K C00P 1.269(4) . ?
C00L H00L 0.9300 . ?
C00L C00R 1.364(6) . ?
C00M H00M 0.9300 . ?
C00M C00U 1.373(5) . ?
C00N H00N 0.9300 . ?
C00N C00V 1.381(4) . ?
C00O H00O 0.9300 . ?
C00O C00W 1.397(5) . ?
C00P F00Q 1.314(5) . ?
C00R H00R 0.9300 . ?
C00R C00S 1.365(6) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C00Y 1.374(5) . ?
C00U H00U 0.9300 . ?
C00U C00V 1.377(5) . ?
C00V H00V 0.9300 . ?
C00W H00W 0.9300 . ?
C00W C00X 1.369(8) . ?
C00X H00X 0.9300 . ?
C00X C00Y 1.359(7) . ?
C00Y H00Y 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
C00A N003 N007 119.47(18) . . ?
N005 N004 C00B 112.52(16) . . ?
N005 N004 C00C 118.78(17) . . ?
C00B N004 C00C 128.66(18) . . ?
C00D N005 N004 104.11(17) . . ?
N003 N007 H007 120.3 . . ?
N003 N007 C00F 119.40(18) . . ?
C00F N007 H007 120.3 . . ?
C00B C008 C00A 127.0(2) . . ?
C00B C008 C00D 104.36(17) . . ?
C00D C008 C00A 128.60(19) . . ?
N003 C00A C008 126.8(2) . . ?
N003 C00A C00P 115.59(19) . . ?
C008 C00A C00P 117.64(19) . . ?
N004 C00B C008 106.43(18) . . ?
N004 C00B C00G 123.57(18) . . ?
C008 C00B C00G 129.94(19) . . ?
C00E C00C N004 117.8(2) . . ?
C00I C00C N004 120.4(2) . . ?
C00I C00C C00E 121.8(2) . . ?
N005 C00D C008 112.58(18) . . ?
N005 C00D C00J 119.1(2) . . ?
C008 C00D C00J 128.25(19) . . ?
C00C C00E H00E 120.7 . . ?
C00C C00E C00L 118.6(3) . . ?
C00L C00E H00E 120.7 . . ?
C00H C00F N007 121.6(2) . . ?
C00N C00F N007 118.4(2) . . ?
C00N C00F C00H 120.0(2) . . ?
C00O C00G C00B 120.3(2) . . ?
C00O C00G C00T 118.8(3) . . ?
C00T C00G C00B 120.8(2) . . ?
C00F C00H H00H 120.4 . . ?
C00M C00H C00F 119.2(3) . . ?
C00M C00H H00H 120.4 . . ?
C00C C00I H00I 120.9 . . ?
C00C C00I C00S 118.1(3) . . ?
C00S C00I H00I 120.9 . . ?
F001 C00J C00D 112.35(19) . . ?
F002 C00J F001 105.09(19) . . ?
F002 C00J C00D 111.2(2) . . ?
F006 C00J F001 107.9(2) . . ?
F006 C00J F002 106.8(2) . . ?
F006 C00J C00D 113.1(2) . . ?
C00E C00L H00L 119.8 . . ?
C00R C00L C00E 120.3(3) . . ?
C00R C00L H00L 119.8 . . ?
C00H C00M H00M 119.5 . . ?
C00U C00M C00H 121.0(3) . . ?
C00U C00M H00M 119.5 . . ?
C00F C00N H00N 120.0 . . ?
C00V C00N C00F 119.9(3) . . ?
C00V C00N H00N 120.0 . . ?
C00G C00O H00O 119.8 . . ?
C00G C00O C00W 120.4(4) . . ?
C00W C00O H00O 119.8 . . ?
F009 C00P C00A 115.7(2) . . ?
F009 C00P F00K 111.5(3) . . ?
F009 C00P F00Q 105.3(3) . . ?
F00K C00P C00A 112.7(2) . . ?
F00K C00P F00Q 98.2(4) . . ?
F00Q C00P C00A 111.6(3) . . ?
C00L C00R H00R 119.8 . . ?
C00L C00R C00S 120.5(3) . . ?
C00S C00R H00R 119.8 . . ?
C00I C00S H00S 119.7 . . ?
C00R C00S C00I 120.7(3) . . ?
C00R C00S H00S 119.7 . . ?
C00G C00T H00T 120.1 . . ?
C00Y C00T C00G 119.9(4) . . ?
C00Y C00T H00T 120.1 . . ?
C00M C00U H00U 120.2 . . ?
C00M C00U C00V 119.6(3) . . ?
C00V C00U H00U 120.2 . . ?
C00N C00V H00V 119.9 . . ?
C00U C00V C00N 120.2(3) . . ?
C00U C00V H00V 119.9 . . ?
C00O C00W H00W 120.3 . . ?
C00X C00W C00O 119.3(4) . . ?
C00X C00W H00W 120.3 . . ?
C00W C00X H00X 119.7 . . ?
C00Y C00X C00W 120.6(3) . . ?
C00Y C00X H00X 119.7 . . ?
C00T C00Y H00Y 119.5 . . ?
C00X C00Y C00T 120.9(4) . . ?
C00X C00Y H00Y 119.5 . . ?

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
N003 N007 C00F C00H 9.9(3) . . . . ?
N003 N007 C00F C00N -169.7(2) . . . . ?
N003 C00A C00P F009 -0.9(4) . . . . ?
N003 C00A C00P F00K 129.2(3) . . . . ?
N003 C00A C00P F00Q -121.3(3) . . . . ?
N004 N005 C00D C008 -0.7(2) . . . . ?
N004 N005 C00D C00J 176.41(19) . . . . ?
N004 C00B C00G C00O -127.8(3) . . . . ?
N004 C00B C00G C00T 53.7(3) . . . . ?
N004 C00C C00E C00L -177.9(2) . . . . ?
N004 C00C C00I C00S 179.4(2) . . . . ?
N005 N004 C00B C008 0.4(2) . . . . ?
N005 N004 C00B C00G -177.0(2) . . . . ?
N005 N004 C00C C00E 46.4(3) . . . . ?
N005 N004 C00C C00I -131.5(2) . . . . ?
N005 C00D C00J F001 27.9(3) . . . . ?
N005 C00D C00J F002 145.4(2) . . . . ?
N005 C00D C00J F006 -94.5(3) . . . . ?
N007 N003 C00A C008 1.3(4) . . . . ?
N007 N003 C00A C00P 179.6(2) . . . . ?
N007 C00F C00H C00M 179.8(2) . . . . ?
N007 C00F C00N C00V -179.4(2) . . . . ?
C008 C00A C00P F009 177.5(3) . . . . ?
C008 C00A C00P F00K -52.4(4) . . . . ?
C008 C00A C00P F00Q 57.1(4) . . . . ?
C008 C00B C00G C00O 55.5(4) . . . . ?
C008 C00B C00G C00T -123.1(3) . . . . ?
C008 C00D C00J F001 -155.4(2) . . . . ?
C008 C00D C00J F002 -38.0(3) . . . . ?
C008 C00D C00J F006 82.2(3) . . . . ?
C00A N003 N007 C00F -174.3(2) . . . . ?
C00A C008 C00B N004 -178.0(2) . . . . ?
C00A C008 C00B C00G -0.8(4) . . . . ?
C00A C008 C00D N005 178.1(2) . . . . ?
C00A C008 C00D C00J 1.3(4) . . . . ?
C00B N004 N005 C00D 0.2(2) . . . . ?
C00B N004 C00C C00E -136.1(2) . . . . ?
C00B N004 C00C C00I 46.1(3) . . . . ?
C00B C008 C00A N003 -99.8(3) . . . . ?
C00B C008 C00A C00P 82.0(3) . . . . ?
C00B C008 C00D N005 1.0(3) . . . . ?
C00B C008 C00D C00J -175.9(2) . . . . ?
C00B C00G C00O C00W -179.0(3) . . . . ?
C00B C00G C00T C00Y 179.1(3) . . . . ?
C00C N004 N005 C00D 178.15(18) . . . . ?
C00C N004 C00B C008 -177.3(2) . . . . ?
C00C N004 C00B C00G 5.3(4) . . . . ?
C00C C00E C00L C00R -1.1(4) . . . . ?
C00C C00I C00S C00R -1.9(5) . . . . ?
C00D C008 C00A N003 83.7(3) . . . . ?
C00D C008 C00A C00P -94.5(3) . . . . ?
C00D C008 C00B N004 -0.8(2) . . . . ?
C00D C008 C00B C00G 176.4(2) . . . . ?
C00E C00C C00I C00S 1.6(4) . . . . ?
C00E C00L C00R C00S 0.8(5) . . . . ?
C00F C00H C00M C00U -0.2(5) . . . . ?
C00F C00N C00V C00U -0.7(5) . . . . ?
C00G C00O C00W C00X -0.5(6) . . . . ?
C00G C00T C00Y C00X 0.2(6) . . . . ?
C00H C00F C00N C00V 1.0(4) . . . . ?
C00H C00M C00U C00V 0.5(5) . . . . ?
C00I C00C C00E C00L -0.1(4) . . . . ?
C00L C00R C00S C00I 0.7(5) . . . . ?
C00M C00U C00V C00N 0.0(5) . . . . ?
C00N C00F C00H C00M -0.6(4) . . . . ?
C00O C00G C00T C00Y 0.6(5) . . . . ?
C00O C00W C00X C00Y 1.3(7) . . . . ?
C00T C00G C00O C00W -0.4(5) . . . . ?
C00W C00X C00Y C00T -1.2(7) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 43 electrons were 
found in a volume of 321Å³ in 1 void per unit cell. 
This is consistent with the presence of 
0.375[CHCl3] per Unit Cell 
which account for 44 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.684 0.000 321.2 43.1 '0.75 CHCl3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2476186'
loop_
_audit_author_name
_audit_author_address
'Kong Weiguang'
;Nanyang Normal University
China
;
_audit_update_record             
;
2025-07-26 deposited with the CCDC.	2026-06-16 downloaded from the CCDC.
;
_audit_creation_date             2025-07-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H22 Br2 F6 N4'
_chemical_formula_sum            'C28 H22 Br2 F6 N4'
_chemical_formula_weight         688.31
_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'
Br Br -0.2901 2.4595 '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'
N N 0.0061 0.0033 '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                   10.7684(5)
_cell_length_b                   11.3415(6)
_cell_length_c                   13.0475(6)
_cell_angle_alpha                86.366(2)
_cell_angle_beta                 66.341(2)
_cell_angle_gamma                89.546(2)
_cell_volume                     1456.35(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.713
_cell_measurement_theta_min      2.707
_shelx_estimated_absorpt_T_max   0.586
_shelx_estimated_absorpt_T_min   0.561
_exptl_absorpt_coefficient_mu    2.846
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5388
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0819 before and 0.0623 after correction.
The Ratio of minimum to maximum transmission is 0.7225.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0830
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            78043
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.303
_diffrn_reflns_theta_min         2.398
_diffrn_ambient_temperature      298.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5131
_reflns_number_total             7224
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.611
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         7224
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0554
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0965P)²+0.6828P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1506
_refine_ls_wR_factor_ref         0.1711
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N4(H4), C14(H14), C27(H27), C6(H6), C22(H22), C8(H8), C18(H18), C15(H15),
 C16(H16), C17(H17)
2.b Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C5(H5A,H5B,H5C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Br2 Br 0.26917(5) 0.66895(4) 1.19059(3) 0.08675(19) Uani 1 1 d . . . . .
Br1 Br 1.12716(4) 0.12671(5) 0.12167(4) 0.09000(19) Uani 1 1 d . . . . .
F1 F 0.3480(2) 0.54656(17) 0.41715(18) 0.0657(5) Uani 1 1 d . . . . .
N1 N 0.5738(2) 0.2728(2) 0.44648(17) 0.0394(5) Uani 1 1 d . . . . .
F3 F 0.2037(2) 0.4854(2) 0.5764(2) 0.0894(8) Uani 1 1 d . . . . .
N2 N 0.5084(2) 0.3566(2) 0.40967(18) 0.0422(5) Uani 1 1 d . . . . .
F2 F 0.2215(3) 0.4004(2) 0.4295(3) 0.0994(9) Uani 1 1 d . . . . .
N3 N 0.2371(2) 0.3311(2) 0.78518(18) 0.0446(5) Uani 1 1 d . . . . .
N4 N 0.3236(3) 0.4167(2) 0.78072(19) 0.0495(6) Uani 1 1 d . . . . .
H4 H 0.390662 0.436198 0.718416 0.059 Uiso 1 1 calc R . . . .
F6 F 0.0574(3) 0.1701(3) 0.8050(2) 0.1101(11) Uani 1 1 d . . . . .
C9 C 0.3908(3) 0.3672(2) 0.4956(2) 0.0391(5) Uani 1 1 d . . . . .
C11 C 0.3780(3) 0.2918(2) 0.5887(2) 0.0373(5) Uani 1 1 d . . . . .
C12 C 0.4990(3) 0.2304(2) 0.5540(2) 0.0383(5) Uani 1 1 d . . . . .
F5 F 0.2147(3) 0.0775(2) 0.6849(3) 0.1222(13) Uani 1 1 d . . . . .
C13 C 0.5401(3) 0.1356(2) 0.6153(2) 0.0403(5) Uani 1 1 d . . . . .
C7 C 0.7064(3) 0.2398(2) 0.3705(2) 0.0407(5) Uani 1 1 d . . . . .
C25 C 0.2844(3) 0.5890(3) 1.0625(2) 0.0493(6) Uani 1 1 d . . . . .
C14 C 0.6007(3) 0.0332(2) 0.5649(3) 0.0465(6) Uani 1 1 d . . . . .
H14 H 0.619603 0.025345 0.489559 0.056 Uiso 1 1 calc R . . . .
C27 C 0.1913(3) 0.4569(3) 0.9758(2) 0.0458(6) Uani 1 1 d . . . . .
H27 H 0.122371 0.406252 0.978467 0.055 Uiso 1 1 calc R . . . .
F4 F 0.1058(4) 0.1992(4) 0.6330(3) 0.1276(14) Uani 1 1 d . . . . .
C6 C 0.7257(3) 0.2199(3) 0.2620(2) 0.0462(6) Uani 1 1 d . . . . .
H6 H 0.654030 0.228908 0.239772 0.055 Uiso 1 1 calc R . . . .
C22 C 0.4096(3) 0.5506(3) 0.8715(2) 0.0466(6) Uani 1 1 d . . . . .
H22 H 0.486140 0.561831 0.804803 0.056 Uiso 1 1 calc R . . . .
C21 C 0.3059(3) 0.4754(2) 0.8772(2) 0.0436(6) Uani 1 1 d . . . . .
C26 C 0.1787(3) 0.5138(3) 1.0709(2) 0.0471(6) Uani 1 1 d . . . . .
C19 C 0.2602(3) 0.2743(2) 0.6979(2) 0.0422(6) Uani 1 1 d . . . . .
C23 C 0.4005(3) 0.6096(2) 0.9646(3) 0.0491(6) Uani 1 1 d . . . . .
C3 C 0.9540(3) 0.1734(3) 0.2240(3) 0.0527(7) Uani 1 1 d . . . . .
C4 C 0.8516(3) 0.1865(3) 0.1857(2) 0.0512(7) Uani 1 1 d . . . . .
C8 C 0.8100(3) 0.2280(3) 0.4065(3) 0.0489(6) Uani 1 1 d . . . . .
H8 H 0.795151 0.243503 0.479574 0.059 Uiso 1 1 calc R . . . .
C18 C 0.5131(4) 0.1461(3) 0.7276(3) 0.0578(8) Uani 1 1 d . . . . .
H18 H 0.473191 0.214117 0.762072 0.069 Uiso 1 1 calc R . . . .
C10 C 0.2898(3) 0.4488(3) 0.4805(3) 0.0496(6) Uani 1 1 d . . . . .
C2 C 0.9368(3) 0.1929(3) 0.3335(3) 0.0554(7) Uani 1 1 d . . . . .
C15 C 0.6326(3) -0.0558(3) 0.6258(3) 0.0586(8) Uani 1 1 d . . . . .
H15 H 0.672437 -0.124097 0.591887 0.070 Uiso 1 1 calc R . . . .
C20 C 0.1587(3) 0.1803(3) 0.7091(3) 0.0594(8) Uani 1 1 d . . . . .
C24 C 0.5147(4) 0.6903(3) 0.9558(3) 0.0668(9) Uani 1 1 d . . . . .
H24A H 0.481288 0.768694 0.971852 0.100 Uiso 1 1 calc GR . . . .
H24B H 0.584245 0.691530 0.881192 0.100 Uiso 1 1 calc GR . . . .
H24C H 0.551416 0.662339 1.008579 0.100 Uiso 1 1 calc GR . . . .
C16 C 0.6057(4) -0.0443(4) 0.7374(3) 0.0717(10) Uani 1 1 d . . . . .
H16 H 0.628307 -0.104611 0.778149 0.086 Uiso 1 1 calc R . . . .
C28 C 0.0538(4) 0.4921(4) 1.1777(3) 0.0665(9) Uani 1 1 d . . . . .
H28A H 0.079181 0.457706 1.235506 0.100 Uiso 1 1 calc GR . . . .
H28B H -0.007151 0.439116 1.165337 0.100 Uiso 1 1 calc GR . . . .
H28C H 0.009676 0.565675 1.200479 0.100 Uiso 1 1 calc GR . . . .
C17 C 0.5456(5) 0.0557(4) 0.7886(3) 0.0728(10) Uani 1 1 d . . . . .
H17 H 0.526800 0.062734 0.863958 0.087 Uiso 1 1 calc R . . . .
C5 C 0.8707(5) 0.1655(4) 0.0675(3) 0.0813(12) Uani 1 1 d . . . . .
H5A H 0.898209 0.085555 0.051800 0.122 Uiso 1 1 calc GR . . . .
H5B H 0.939238 0.218945 0.015972 0.122 Uiso 1 1 calc GR . . . .
H5C H 0.786838 0.178499 0.059336 0.122 Uiso 1 1 calc GR . . . .
C1 C 1.0475(4) 0.1757(5) 0.3756(4) 0.0870(13) Uani 1 1 d . . . . .
H1A H 1.081460 0.097086 0.362968 0.131 Uiso 1 1 calc GR . . . .
H1B H 1.011817 0.187318 0.454408 0.131 Uiso 1 1 calc GR . . . .
H1C H 1.119856 0.231914 0.336229 0.131 Uiso 1 1 calc GR . . . .


_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
Br2 C25 1.901(3) . ?
Br1 C3 1.902(3) . ?
F1 C10 1.335(4) . ?
N1 N2 1.355(3) . ?
N1 C12 1.364(3) . ?
N1 C7 1.436(3) . ?
F3 C10 1.315(4) . ?
N2 C9 1.323(3) . ?
F2 C10 1.316(4) . ?
N3 N4 1.334(3) . ?
N3 C19 1.280(3) . ?
N4 H4 0.8600 . ?
N4 C21 1.405(3) . ?
F6 C20 1.288(4) . ?
C9 C11 1.400(4) . ?
C9 C10 1.488(4) . ?
C11 C12 1.393(4) . ?
C11 C19 1.481(3) . ?
C12 C13 1.470(4) . ?
F5 C20 1.307(4) . ?
C13 C14 1.395(4) . ?
C13 C18 1.388(4) . ?
C7 C6 1.379(4) . ?
C7 C8 1.377(4) . ?
C25 C26 1.392(4) . ?
C25 C23 1.391(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.372(4) . ?
C27 H27 0.9300 . ?
C27 C21 1.385(4) . ?
C27 C26 1.393(4) . ?
F4 C20 1.335(5) . ?
C6 H6 0.9300 . ?
C6 C4 1.389(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.386(4) . ?
C22 C23 1.392(4) . ?
C26 C28 1.507(4) . ?
C19 C20 1.491(4) . ?
C23 C24 1.501(5) . ?
C3 C4 1.385(5) . ?
C3 C2 1.396(5) . ?
C4 C5 1.506(5) . ?
C8 H8 0.9300 . ?
C8 C2 1.387(4) . ?
C18 H18 0.9300 . ?
C18 C17 1.386(5) . ?
C2 C1 1.507(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(6) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C16 H16 0.9300 . ?
C16 C17 1.375(6) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C17 H17 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 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
N2 N1 C12 112.5(2) . . ?
N2 N1 C7 118.1(2) . . ?
C12 N1 C7 129.4(2) . . ?
C9 N2 N1 104.5(2) . . ?
C19 N3 N4 119.1(2) . . ?
N3 N4 H4 119.8 . . ?
N3 N4 C21 120.4(2) . . ?
C21 N4 H4 119.8 . . ?
N2 C9 C11 112.6(2) . . ?
N2 C9 C10 118.2(2) . . ?
C11 C9 C10 129.1(2) . . ?
C9 C11 C19 128.6(2) . . ?
C12 C11 C9 104.5(2) . . ?
C12 C11 C19 126.8(2) . . ?
N1 C12 C11 105.9(2) . . ?
N1 C12 C13 125.3(2) . . ?
C11 C12 C13 128.8(2) . . ?
C14 C13 C12 121.8(2) . . ?
C18 C13 C12 119.1(2) . . ?
C18 C13 C14 119.1(3) . . ?
C6 C7 N1 118.2(2) . . ?
C8 C7 N1 120.2(2) . . ?
C8 C7 C6 121.6(3) . . ?
C26 C25 Br2 118.6(2) . . ?
C23 C25 Br2 118.1(2) . . ?
C23 C25 C26 123.3(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14 119.8 . . ?
C21 C27 H27 119.8 . . ?
C21 C27 C26 120.3(3) . . ?
C26 C27 H27 119.8 . . ?
C7 C6 H6 119.8 . . ?
C7 C6 C4 120.4(3) . . ?
C4 C6 H6 119.8 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.7(3) . . ?
C23 C22 H22 119.6 . . ?
C27 C21 N4 121.8(3) . . ?
C27 C21 C22 120.7(3) . . ?
C22 C21 N4 117.6(2) . . ?
C25 C26 C27 117.7(3) . . ?
C25 C26 C28 122.7(3) . . ?
C27 C26 C28 119.7(3) . . ?
N3 C19 C11 126.5(2) . . ?
N3 C19 C20 116.0(2) . . ?
C11 C19 C20 117.5(2) . . ?
C25 C23 C22 117.3(3) . . ?
C25 C23 C24 123.3(3) . . ?
C22 C23 C24 119.4(3) . . ?
C4 C3 Br1 118.1(2) . . ?
C4 C3 C2 123.5(3) . . ?
C2 C3 Br1 118.4(2) . . ?
C6 C4 C5 119.6(3) . . ?
C3 C4 C6 117.1(3) . . ?
C3 C4 C5 123.3(3) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C2 119.9(3) . . ?
C2 C8 H8 120.1 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
F1 C10 C9 112.2(2) . . ?
F3 C10 F1 105.6(3) . . ?
F3 C10 F2 108.9(3) . . ?
F3 C10 C9 112.0(3) . . ?
F2 C10 F1 105.6(3) . . ?
F2 C10 C9 112.2(3) . . ?
C3 C2 C1 123.3(3) . . ?
C8 C2 C3 117.5(3) . . ?
C8 C2 C1 119.2(3) . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.1(3) . . ?
C16 C15 H15 119.9 . . ?
F6 C20 F5 109.3(3) . . ?
F6 C20 F4 106.0(4) . . ?
F6 C20 C19 115.0(3) . . ?
F5 C20 F4 102.3(3) . . ?
F5 C20 C19 111.9(3) . . ?
F4 C20 C19 111.3(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C18 C17 H17 120.1 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
