# Supplementary Information (SI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_dd
_database_code_depnum_ccdc_archive 'CCDC 2361345'
loop_
_audit_author_name
_audit_author_address
'Hui Xu'
;Shanghai Institute of Materia Medica
China
;
_audit_update_record             
;
2024-06-08 deposited with the CCDC.	2024-11-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C18 H14 F3 N O)'
_chemical_formula_sum            'C36 H28 F6 N2 O2'
_chemical_formula_weight         634.60
_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'
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'
O O 0.0106 0.0060 '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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   25.784(2)
_cell_length_b                   6.9333(6)
_cell_length_c                   16.7815(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3000.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1806
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.587
_cell_measurement_theta_min      2.426
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.987
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.0452
_exptl_absorpt_correction_T_min  0.0233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1061 before and 0.0505 after correction. The Ratio of minimum to maximum transmission is 0.5155. 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    1.405
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17528
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.383
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1651
_reflns_number_total             3262
_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 V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3262
_refine_ls_number_restraints     312
_refine_ls_R_factor_all          0.1363
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      0.976
_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)+(0.0741P)²+1.5389P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1911
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H1A,H1B,H1C} of C1
 At 1.5 times of:
  {H24A,H24B,H24C} of C24, {H9A,H9B,H9C} of C9, {H26A,H26B,H26C} of C26
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: H1A(0.5) H1B(0.5) H1C(0.5) H9A(0.5) H9B(0.5) H9C(0.5) H24A(0.5)
 H24B(0.5) H24C(0.5) H26A(0.5) H26B(0.5) H26C(0.5) F5(0.5) F3(0.5) F4(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C18(H18), C19(H19), C3(H3), C20(H20), C12(H12), C13(H13), C5(H5),
 C00W(H00W), C4(H4), C28(H28), C29(H29)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C)
;
_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
O2 O 0.25610(8) 0.750000 0.80314(13) 0.0418(6) Uani 1 2 d S TU P . .
O1 O 0.38496(8) 0.250000 0.75793(14) 0.0478(6) Uani 1 2 d S TU P . .
N1 N 0.24693(10) 0.250000 0.63687(15) 0.0395(7) Uani 1 2 d S TU P . .
N2 N 0.39298(10) 0.750000 0.67950(15) 0.0401(7) Uani 1 2 d S TU P . .
F2 F 0.00888(9) 0.250000 0.81092(15) 0.1205(12) Uani 1 2 d S TU P . .
F1 F 0.03540(7) 0.3989(3) 0.90993(12) 0.1114(7) Uani 1 1 d . U . . .
C6 C 0.34054(12) 0.250000 0.63440(19) 0.0381(8) Uani 1 2 d S TU P . .
C8 C 0.29317(12) 0.250000 0.76178(18) 0.0371(8) Uani 1 2 d S TU P . .
C2 C 0.29287(12) 0.250000 0.59408(19) 0.0375(8) Uani 1 2 d S TU P . .
C7 C 0.34238(12) 0.250000 0.7215(2) 0.0384(8) Uani 1 2 d S TU P . .
C11 C 0.19628(12) 0.250000 0.76017(18) 0.0382(8) Uani 1 2 d S TU P . .
C21 C 0.25320(12) 0.750000 0.63378(19) 0.0384(8) Uani 1 2 d S TU P . .
H21 H 0.220835 0.750000 0.660846 0.046 Uiso 1 2 calc RS T P . .
C17 C 0.34684(12) 0.750000 0.63675(19) 0.0350(7) Uani 1 2 d S TU P . .
C23 C 0.34728(12) 0.750000 0.80524(19) 0.0379(8) Uani 1 2 d S TU P . .
C10 C 0.24772(12) 0.250000 0.71903(19) 0.0362(7) Uani 1 2 d S TU P . .
C22 C 0.29793(12) 0.750000 0.76505(18) 0.0354(7) Uani 1 2 d S TU P . .
C16 C 0.29937(12) 0.750000 0.67843(18) 0.0361(7) Uani 1 2 d S TU P . .
C18 C 0.34684(13) 0.750000 0.55325(19) 0.0420(8) Uani 1 2 d S TU P . .
H18 H 0.378768 0.750000 0.524984 0.050 Uiso 1 2 calc RS T P . .
C25 C 0.39226(12) 0.750000 0.76178(19) 0.0384(8) Uani 1 2 d S TU P . .
C27 C 0.44325(12) 0.750000 0.80348(19) 0.0398(8) Uani 1 2 d S TU P . .
C14 C 0.09815(12) 0.250000 0.82980(19) 0.0406(8) Uani 1 2 d S TU P . .
C19 C 0.30092(13) 0.750000 0.5123(2) 0.0460(9) Uani 1 2 d S TU P . .
H19 H 0.301314 0.750000 0.455740 0.055 Uiso 1 2 calc RS T P . .
C15 C 0.04565(13) 0.250000 0.8642(2) 0.0492(9) Uani 1 2 d S TU P . .
C3 C 0.29267(14) 0.250000 0.51045(19) 0.0445(9) Uani 1 2 d S TU P . .
H3 H 0.260701 0.250000 0.482325 0.053 Uiso 1 2 calc RS T P . .
C1 C 0.19810(12) 0.250000 0.59273(19) 0.0457(9) Uani 1 2 d S TU P . .
H1A H 0.169097 0.236787 0.630083 0.055 Uiso 0.5 1 calc GR . . A -1
H1B H 0.197776 0.141766 0.555174 0.055 Uiso 0.5 1 calc GR . . A -1
H1C H 0.194656 0.371447 0.563324 0.055 Uiso 0.5 1 calc GR . . A -1
C9 C 0.29234(13) 0.250000 0.8515(2) 0.0471(9) Uani 1 2 d S TU P . .
H9A H 0.270144 0.144862 0.870507 0.071 Uiso 0.5 1 calc GR . . B -1
H9B H 0.278688 0.373483 0.870694 0.071 Uiso 0.5 1 calc GR . . B -1
H9C H 0.327651 0.231655 0.871763 0.071 Uiso 0.5 1 calc GR . . B -1
C20 C 0.25383(13) 0.750000 0.55222(19) 0.0436(8) Uani 1 2 d S TU P . .
H20 H 0.222222 0.750000 0.523137 0.052 Uiso 1 2 calc RS T P . .
C12 C 0.17195(9) 0.4213(3) 0.77911(15) 0.0503(7) Uani 1 1 d . U . . .
H12 H 0.188840 0.540413 0.768624 0.060 Uiso 1 1 calc R . . . .
C13 C 0.12288(9) 0.4206(3) 0.81344(16) 0.0514(7) Uani 1 1 d . U . . .
H13 H 0.106333 0.539404 0.825674 0.062 Uiso 1 1 calc R . . . .
C24 C 0.34753(13) 0.750000 0.89465(19) 0.0484(9) Uani 1 2 d S TU P . .
H24A H 0.346859 0.883236 0.914119 0.073 Uiso 0.5 1 calc GR . . C -1
H24B H 0.378967 0.685701 0.913914 0.073 Uiso 0.5 1 calc GR . . C -1
H24C H 0.316912 0.681063 0.914310 0.073 Uiso 0.5 1 calc GR . . C -1
C5 C 0.38691(13) 0.250000 0.5901(2) 0.0463(9) Uani 1 2 d S TU P . .
H5 H 0.419279 0.250000 0.617088 0.056 Uiso 1 2 calc RS T P . .
C00W C 0.38593(15) 0.250000 0.5084(2) 0.0530(10) Uani 1 2 d S TU P . .
H00W H 0.417369 0.250000 0.478893 0.064 Uiso 1 2 calc RS T P . .
C4 C 0.33854(14) 0.250000 0.4694(2) 0.0526(10) Uani 1 2 d S TU P . .
H4 H 0.337885 0.250000 0.412836 0.063 Uiso 1 2 calc RS T P . .
C28 C 0.46647(9) 0.9213(4) 0.82513(16) 0.0581(7) Uani 1 1 d . U . . .
H28 H 0.450784 1.040216 0.810639 0.070 Uiso 1 1 calc R . . . .
C30 C 0.53574(14) 0.750000 0.8889(2) 0.0521(10) Uani 1 2 d S TU P E .
C26 C 0.44196(13) 0.750000 0.6346(2) 0.0524(10) Uani 1 2 d S TU P . .
H26A H 0.445478 0.872064 0.605653 0.079 Uiso 0.5 1 calc GR . . D -1
H26B H 0.441965 0.642658 0.596606 0.079 Uiso 0.5 1 calc GR . . D -1
H26C H 0.471092 0.735278 0.671619 0.079 Uiso 0.5 1 calc GR . . D -1
C29 C 0.51221(10) 0.9216(4) 0.86761(17) 0.0627(8) Uani 1 1 d . U . . .
H29 H 0.527712 1.040681 0.882340 0.075 Uiso 1 1 calc R . . . .
C31 C 0.58519(16) 0.750000 0.9337(3) 0.0732(12) Uani 1 2 d S TU P . .
F5 F 0.62337(13) 0.8284(7) 0.8943(3) 0.151(2) Uani 0.5 1 d . U . E -1
F3 F 0.60230(14) 0.5764(6) 0.9525(3) 0.0998(13) Uani 0.5 1 d . U . E -1
F4 F 0.58185(16) 0.8338(7) 1.0017(2) 0.161(2) Uani 0.5 1 d . U . E -1


_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
O2 C22 1.254(4) . ?
O1 C7 1.256(4) . ?
N1 C2 1.385(4) . ?
N1 C10 1.379(4) . ?
N1 C1 1.461(4) . ?
N2 C17 1.389(4) . ?
N2 C25 1.381(4) . ?
N2 C26 1.471(4) . ?
F2 C15 1.303(4) . ?
F1 C15 1.313(3) . ?
C6 C2 1.403(4) . ?
C6 C7 1.463(4) . ?
C6 C5 1.408(4) . ?
C8 C7 1.437(4) . ?
C8 C10 1.374(4) . ?
C8 C9 1.506(4) . ?
C2 C3 1.403(4) . ?
C11 C10 1.495(4) . ?
C11 C12 1.380(3) 7_565 ?
C11 C12 1.380(3) . ?
C21 H21 0.9500 . ?
C21 C16 1.407(4) . ?
C21 C20 1.369(4) . ?
C17 C16 1.410(4) . ?
C17 C18 1.401(4) . ?
C23 C22 1.440(4) . ?
C23 C25 1.370(4) . ?
C23 C24 1.500(4) . ?
C22 C16 1.454(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.369(5) . ?
C25 C27 1.489(4) . ?
C27 C28 1.379(3) . ?
C27 C28 1.379(3) 7_575 ?
C14 C15 1.472(5) . ?
C14 C13 1.372(3) 7_565 ?
C14 C13 1.372(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.368(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C20 H20 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.390(3) . ?
C13 H13 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C00W 1.370(5) . ?
C00W H00W 0.9500 . ?
C00W C4 1.386(5) . ?
C4 H4 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.378(3) . ?
C30 C29 1.383(3) . ?
C30 C29 1.383(3) 7_575 ?
C30 C31 1.480(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C29 H29 0.9500 . ?
C31 F5 1.305(5) . ?
C31 F3 1.320(4) . ?
C31 F4 1.283(5) . ?

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 N1 C1 118.3(3) . . ?
C10 N1 C2 120.4(3) . . ?
C10 N1 C1 121.3(3) . . ?
C17 N2 C26 118.1(3) . . ?
C25 N2 C17 120.3(3) . . ?
C25 N2 C26 121.6(3) . . ?
C2 C6 C7 120.7(3) . . ?
C2 C6 C5 119.3(3) . . ?
C5 C6 C7 120.0(3) . . ?
C7 C8 C9 118.8(3) . . ?
C10 C8 C7 120.5(3) . . ?
C10 C8 C9 120.7(3) . . ?
N1 C2 C6 119.9(3) . . ?
N1 C2 C3 121.0(3) . . ?
C6 C2 C3 119.0(3) . . ?
O1 C7 C6 120.9(3) . . ?
O1 C7 C8 122.9(3) . . ?
C8 C7 C6 116.2(3) . . ?
C12 C11 C10 120.62(15) . . ?
C12 C11 C10 120.63(15) 7_565 . ?
C12 C11 C12 118.7(3) . 7_565 ?
C16 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C16 121.5(3) . . ?
N2 C17 C16 119.2(3) . . ?
N2 C17 C18 121.1(3) . . ?
C18 C17 C16 119.7(3) . . ?
C22 C23 C24 118.2(3) . . ?
C25 C23 C22 119.9(3) . . ?
C25 C23 C24 121.9(3) . . ?
N1 C10 C11 116.7(3) . . ?
C8 C10 N1 122.3(3) . . ?
C8 C10 C11 121.0(3) . . ?
O2 C22 C23 121.4(3) . . ?
O2 C22 C16 122.1(3) . . ?
C23 C22 C16 116.5(3) . . ?
C21 C16 C17 118.1(3) . . ?
C21 C16 C22 120.7(3) . . ?
C17 C16 C22 121.2(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.1(3) . . ?
C19 C18 H18 120.0 . . ?
N2 C25 C27 117.3(3) . . ?
C23 C25 N2 122.9(3) . . ?
C23 C25 C27 119.8(3) . . ?
C28 C27 C25 120.47(15) . . ?
C28 C27 C25 120.47(15) 7_575 . ?
C28 C27 C28 118.9(3) . 7_575 ?
C13 C14 C15 120.41(15) . . ?
C13 C14 C15 120.41(15) 7_565 . ?
C13 C14 C13 119.2(3) 7_565 . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.0(3) . . ?
C20 C19 H19 119.5 . . ?
F2 C15 F1 104.7(2) . . ?
F2 C15 F1 104.7(2) . 7_565 ?
F2 C15 C14 113.6(3) . . ?
F1 C15 F1 103.7(3) . 7_565 ?
F1 C15 C14 114.5(2) . . ?
F1 C15 C14 114.5(2) 7_565 . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C21 C20 C19 119.5(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.4(2) . . ?
C13 C12 H12 119.8 . . ?
C14 C13 C12 120.6(2) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
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 . . ?
C6 C5 H5 119.6 . . ?
C00W C5 C6 120.9(3) . . ?
C00W C5 H5 119.6 . . ?
C5 C00W H00W 120.4 . . ?
C5 C00W C4 119.2(3) . . ?
C4 C00W H00W 120.4 . . ?
C3 C4 C00W 121.6(3) . . ?
C3 C4 H4 119.2 . . ?
C00W C4 H4 119.2 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(2) . . ?
C29 C28 H28 119.7 . . ?
C29 C30 C29 118.7(3) . 7_575 ?
C29 C30 C31 120.63(17) . . ?
C29 C30 C31 120.63(16) 7_575 . ?
N2 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
N2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C29 C30 120.5(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
F5 C31 C30 113.1(4) . . ?
F5 C31 F3 104.4(4) . . ?
F3 C31 C30 114.2(2) . . ?
F4 C31 C30 113.2(4) . . ?
F4 C31 F5 108.2(4) . . ?
F4 C31 F3 102.9(4) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
