# Supplementary Information (SI) for Chemical Science.
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2497885'
loop_
_audit_author_name
_audit_author_address
'Junwei Li'
;Shaanxi Normal University
China
;
_audit_update_record             
;
2025-10-25 deposited with the CCDC.	2026-04-15 downloaded from the CCDC.
;
_audit_creation_date             2025-08-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H24 F N'
_chemical_formula_sum            'C38 H24 F N'
_chemical_formula_weight         513.58
_chemical_absolute_configuration ?
_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'
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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   8.5176(4)
_cell_length_b                   7.5220(4)
_cell_length_c                   20.2681(11)
_cell_angle_alpha                90
_cell_angle_beta                 101.123(3)
_cell_angle_gamma                90
_cell_volume                     1274.17(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    220.00
_cell_measurement_theta_max      68.44
_cell_measurement_theta_min      4.45
_shelx_estimated_absorpt_T_max   0.933
_shelx_estimated_absorpt_T_min   0.830
_exptl_absorpt_coefficient_mu    0.644
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1316 before and 0.0669 after correction.
The Ratio of minimum to maximum transmission is 0.8523.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22138
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.556
_diffrn_reflns_theta_min         4.446
_diffrn_ambient_temperature      220.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.834
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                4241
_reflns_number_total             4643
_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 (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.102
_refine_diff_density_min         -0.159
_refine_diff_density_rms         0.032
_refine_ls_abs_structure_details 
;
 Flack x determined using 1786 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4643
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.077
_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)+(0.0433P)²+0.0720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0817
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C12(H12), C14(H14), C16(H16), C17(H17), C18(H18), C22(H22),
 C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
;
_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 0.62693(16) 0.1738(2) 0.26442(6) 0.0529(4) Uani 1 1 d . . . . .
N1 N 0.3836(2) 0.7357(3) 0.26600(9) 0.0408(4) Uani 1 1 d . . . . .
C1 C 0.6962(2) 0.5493(3) 0.46884(10) 0.0311(4) Uani 1 1 d . . . . .
C2 C 0.5323(2) 0.6814(3) 0.28648(10) 0.0328(4) Uani 1 1 d . . . . .
C3 C 0.5657(2) 0.5780(3) 0.35097(10) 0.0331(4) Uani 1 1 d . . . . .
C4 C 0.8305(3) 0.5160(3) 0.58723(10) 0.0373(5) Uani 1 1 d . . . . .
C5 C 0.6334(2) 0.3750(3) 0.47010(10) 0.0341(5) Uani 1 1 d . . . . .
C6 C 0.7955(2) 0.6206(3) 0.52775(10) 0.0324(4) Uani 1 1 d . . . . .
C7 C 0.5025(2) 0.4059(3) 0.35318(10) 0.0354(5) Uani 1 1 d . . . . .
C8 C 0.7250(2) 0.8301(3) 0.41040(10) 0.0355(5) Uani 1 1 d . . . . .
H8 H 0.700407 0.901162 0.371638 0.043 Uiso 1 1 calc R U . . .
C9 C 0.8190(2) 0.8970(3) 0.46609(11) 0.0368(5) Uani 1 1 d . . . . .
H9 H 0.859224 1.013154 0.465181 0.044 Uiso 1 1 calc R U . . .
C10 C 0.6562(2) 0.7087(3) 0.24866(10) 0.0325(4) Uani 1 1 d . . . . .
C11 C 0.6615(2) 0.6523(3) 0.40887(10) 0.0314(4) Uani 1 1 d . . . . .
C12 C 0.8156(2) 0.6536(3) 0.27061(10) 0.0374(5) Uani 1 1 d . . . . .
H12 H 0.845967 0.600094 0.313065 0.045 Uiso 1 1 calc R U . . .
C13 C 0.6131(2) 0.7930(3) 0.18511(10) 0.0354(4) Uani 1 1 d . . . . .
C14 C 0.5367(2) 0.3078(3) 0.41187(10) 0.0375(5) Uani 1 1 d . . . . .
H14 H 0.493722 0.192875 0.412616 0.045 Uiso 1 1 calc R U . . .
C15 C 0.5837(3) 0.2935(3) 0.12739(11) 0.0403(5) Uani 1 1 d . . . . .
C16 C 0.7301(3) 0.8127(3) 0.14488(11) 0.0435(5) Uani 1 1 d . . . . .
H16 H 0.702183 0.865517 0.102191 0.052 Uiso 1 1 calc R U . . .
C17 C 0.3479(3) 0.8240(3) 0.20602(11) 0.0448(5) Uani 1 1 d . . . . .
H17 H 0.243524 0.868369 0.192316 0.054 Uiso 1 1 calc R U . . .
C18 C 0.4540(3) 0.8511(3) 0.16523(11) 0.0424(5) Uani 1 1 d . . . . .
H18 H 0.421418 0.908688 0.123679 0.051 Uiso 1 1 calc R U . . .
C19 C 0.8588(2) 0.7945(3) 0.52662(10) 0.0359(5) Uani 1 1 d . . . . .
C20 C 0.7667(3) 0.1907(3) 0.03099(11) 0.0428(5) Uani 1 1 d . . . . .
C21 C 0.5010(2) 0.2812(3) 0.23896(11) 0.0399(5) Uani 1 1 d . . . . .
C22 C 0.9302(3) 0.5882(4) 0.64393(11) 0.0460(6) Uani 1 1 d . . . . .
H22 H 0.954594 0.520794 0.683640 0.055 Uiso 1 1 calc R U . . .
C23 C 0.8418(3) 0.2224(3) 0.09913(12) 0.0432(5) Uani 1 1 d . . . . .
C24 C 0.4814(3) 0.3356(3) 0.17589(11) 0.0414(5) Uani 1 1 d . . . . .
H24 H 0.392663 0.409035 0.160446 0.050 Uiso 1 1 calc R U . . .
C25 C 0.4029(3) 0.3204(4) 0.29066(11) 0.0424(5) Uani 1 1 d . . . . .
H25A H 0.355842 0.209704 0.303380 0.051 Uiso 1 1 calc R U . . .
H25B H 0.315186 0.400531 0.271458 0.051 Uiso 1 1 calc R U . . .
C26 C 0.6710(3) 0.2735(3) 0.53131(11) 0.0403(5) Uani 1 1 d . . . . .
H26 H 0.629501 0.158031 0.532564 0.048 Uiso 1 1 calc R U . . .
C27 C 0.9575(3) 0.8608(4) 0.58488(11) 0.0451(5) Uani 1 1 d . . . . .
H27 H 0.999725 0.976288 0.584978 0.054 Uiso 1 1 calc R U . . .
C28 C 0.9268(3) 0.6769(4) 0.23094(11) 0.0438(5) Uani 1 1 d . . . . .
H28 H 1.033051 0.639980 0.246254 0.053 Uiso 1 1 calc R U . . .
C29 C 0.5120(3) 0.2700(4) 0.05846(11) 0.0463(6) Uani 1 1 d . . . . .
H29 H 0.401840 0.290849 0.044334 0.056 Uiso 1 1 calc R U . . .
C30 C 0.7642(3) 0.3410(3) 0.58669(11) 0.0424(5) Uani 1 1 d . . . . .
H30 H 0.786336 0.271710 0.625991 0.051 Uiso 1 1 calc R U . . .
C31 C 0.8620(3) 0.1325(4) -0.01486(13) 0.0541(6) Uani 1 1 d . . . . .
H31 H 0.814064 0.112596 -0.060043 0.065 Uiso 1 1 calc R U . . .
C32 C 0.8823(3) 0.7563(3) 0.16711(11) 0.0464(6) Uani 1 1 d . . . . .
H32 H 0.958795 0.770299 0.139702 0.056 Uiso 1 1 calc R U . . .
C33 C 0.7462(3) 0.2720(3) 0.14562(11) 0.0433(5) Uani 1 1 d . . . . .
H33 H 0.795526 0.291087 0.190692 0.052 Uiso 1 1 calc R U . . .
C34 C 0.6005(3) 0.2179(4) 0.01275(11) 0.0489(6) Uani 1 1 d . . . . .
H34 H 0.549370 0.199607 -0.032147 0.059 Uiso 1 1 calc R U . . .
C35 C 1.0081(3) 0.1946(4) 0.11827(14) 0.0554(6) Uani 1 1 d . . . . .
H35 H 1.059383 0.216056 0.162928 0.067 Uiso 1 1 calc R U . . .
C36 C 0.9932(3) 0.7566(4) 0.64242(12) 0.0517(6) Uani 1 1 d . . . . .
H36 H 1.061276 0.801641 0.680873 0.062 Uiso 1 1 calc R U . . .
C37 C 1.0223(4) 0.1050(4) 0.00548(16) 0.0612(7) Uani 1 1 d . . . . .
H37 H 1.083785 0.064704 -0.025366 0.073 Uiso 1 1 calc R U . . .
C38 C 1.0952(3) 0.1370(4) 0.07281(15) 0.0614(7) Uani 1 1 d . . . . .
H38 H 1.205756 0.118270 0.086601 0.074 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 C21 1.363(3) . ?
N1 C2 1.319(3) . ?
N1 C17 1.367(3) . ?
C1 C5 1.419(3) . ?
C1 C6 1.428(3) . ?
C1 C11 1.424(3) . ?
C2 C3 1.500(3) . ?
C2 C10 1.434(3) . ?
C3 C7 1.406(3) . ?
C3 C11 1.409(3) . ?
C4 C6 1.422(3) . ?
C4 C22 1.400(3) . ?
C4 C30 1.432(3) . ?
C5 C14 1.397(3) . ?
C5 C26 1.439(3) . ?
C6 C19 1.416(3) . ?
C7 C14 1.382(3) . ?
C7 C25 1.525(3) . ?
C8 H8 0.9400 . ?
C8 C9 1.349(3) . ?
C8 C11 1.440(3) . ?
C9 H9 0.9400 . ?
C9 C19 1.433(3) . ?
C10 C12 1.407(3) . ?
C10 C13 1.419(3) . ?
C12 H12 0.9400 . ?
C12 C28 1.367(3) . ?
C13 C16 1.412(3) . ?
C13 C18 1.407(3) . ?
C14 H14 0.9400 . ?
C15 C24 1.469(3) . ?
C15 C29 1.424(3) . ?
C15 C33 1.371(3) . ?
C16 H16 0.9400 . ?
C16 C32 1.356(3) . ?
C17 H17 0.9400 . ?
C17 C18 1.353(3) . ?
C18 H18 0.9400 . ?
C19 C27 1.403(3) . ?
C20 C23 1.426(3) . ?
C20 C31 1.416(3) . ?
C20 C34 1.408(3) . ?
C21 C24 1.322(3) . ?
C21 C25 1.490(3) . ?
C22 H22 0.9400 . ?
C22 C36 1.378(4) . ?
C23 C33 1.409(3) . ?
C23 C35 1.410(3) . ?
C24 H24 0.9400 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C26 H26 0.9400 . ?
C26 C30 1.343(3) . ?
C27 H27 0.9400 . ?
C27 C36 1.389(4) . ?
C28 H28 0.9400 . ?
C28 C32 1.409(3) . ?
C29 H29 0.9400 . ?
C29 C34 1.360(3) . ?
C30 H30 0.9400 . ?
C31 H31 0.9400 . ?
C31 C37 1.363(4) . ?
C32 H32 0.9400 . ?
C33 H33 0.9400 . ?
C34 H34 0.9400 . ?
C35 H35 0.9400 . ?
C35 C38 1.360(4) . ?
C36 H36 0.9400 . ?
C37 H37 0.9400 . ?
C37 C38 1.407(4) . ?
C38 H38 0.9400 . ?

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 C17 117.76(18) . . ?
C5 C1 C6 119.78(17) . . ?
C5 C1 C11 120.11(18) . . ?
C11 C1 C6 120.11(18) . . ?
N1 C2 C3 116.34(17) . . ?
N1 C2 C10 123.26(18) . . ?
C10 C2 C3 120.31(17) . . ?
C7 C3 C2 119.71(18) . . ?
C7 C3 C11 120.17(19) . . ?
C11 C3 C2 120.11(19) . . ?
C6 C4 C30 119.0(2) . . ?
C22 C4 C6 118.4(2) . . ?
C22 C4 C30 122.6(2) . . ?
C1 C5 C26 118.94(19) . . ?
C14 C5 C1 118.82(19) . . ?
C14 C5 C26 122.2(2) . . ?
C4 C6 C1 119.65(19) . . ?
C19 C6 C1 119.94(18) . . ?
C19 C6 C4 120.41(19) . . ?
C3 C7 C25 121.14(19) . . ?
C14 C7 C3 120.04(19) . . ?
C14 C7 C25 118.8(2) . . ?
C9 C8 H8 119.2 . . ?
C9 C8 C11 121.6(2) . . ?
C11 C8 H8 119.2 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C19 121.3(2) . . ?
C19 C9 H9 119.4 . . ?
C12 C10 C2 123.62(18) . . ?
C12 C10 C13 118.93(18) . . ?
C13 C10 C2 117.44(18) . . ?
C1 C11 C8 118.13(18) . . ?
C3 C11 C1 119.12(19) . . ?
C3 C11 C8 122.75(18) . . ?
C10 C12 H12 119.6 . . ?
C28 C12 C10 120.8(2) . . ?
C28 C12 H12 119.6 . . ?
C16 C13 C10 118.88(19) . . ?
C18 C13 C10 117.72(18) . . ?
C18 C13 C16 123.4(2) . . ?
C5 C14 H14 119.1 . . ?
C7 C14 C5 121.7(2) . . ?
C7 C14 H14 119.1 . . ?
C29 C15 C24 119.1(2) . . ?
C33 C15 C24 122.9(2) . . ?
C33 C15 C29 118.0(2) . . ?
C13 C16 H16 119.6 . . ?
C32 C16 C13 120.8(2) . . ?
C32 C16 H16 119.6 . . ?
N1 C17 H17 118.1 . . ?
C18 C17 N1 123.8(2) . . ?
C18 C17 H17 118.1 . . ?
C13 C18 H18 120.1 . . ?
C17 C18 C13 119.9(2) . . ?
C17 C18 H18 120.1 . . ?
C6 C19 C9 118.87(18) . . ?
C27 C19 C6 118.9(2) . . ?
C27 C19 C9 122.2(2) . . ?
C31 C20 C23 118.7(2) . . ?
C34 C20 C23 118.1(2) . . ?
C34 C20 C31 123.2(2) . . ?
F1 C21 C25 111.00(18) . . ?
C24 C21 F1 119.5(2) . . ?
C24 C21 C25 129.5(2) . . ?
C4 C22 H22 119.5 . . ?
C36 C22 C4 121.0(2) . . ?
C36 C22 H22 119.5 . . ?
C33 C23 C20 118.9(2) . . ?
C33 C23 C35 122.3(2) . . ?
C35 C23 C20 118.7(2) . . ?
C15 C24 H24 116.5 . . ?
C21 C24 C15 126.9(2) . . ?
C21 C24 H24 116.5 . . ?
C7 C25 H25A 109.3 . . ?
C7 C25 H25B 109.3 . . ?
C21 C25 C7 111.73(17) . . ?
C21 C25 H25A 109.3 . . ?
C21 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C5 C26 H26 119.4 . . ?
C30 C26 C5 121.2(2) . . ?
C30 C26 H26 119.4 . . ?
C19 C27 H27 119.8 . . ?
C36 C27 C19 120.3(2) . . ?
C36 C27 H27 119.8 . . ?
C12 C28 H28 120.0 . . ?
C12 C28 C32 120.0(2) . . ?
C32 C28 H28 120.0 . . ?
C15 C29 H29 119.5 . . ?
C34 C29 C15 121.0(2) . . ?
C34 C29 H29 119.5 . . ?
C4 C30 H30 119.2 . . ?
C26 C30 C4 121.5(2) . . ?
C26 C30 H30 119.2 . . ?
C20 C31 H31 119.5 . . ?
C37 C31 C20 121.0(2) . . ?
C37 C31 H31 119.5 . . ?
C16 C32 C28 120.6(2) . . ?
C16 C32 H32 119.7 . . ?
C28 C32 H32 119.7 . . ?
C15 C33 C23 122.3(2) . . ?
C15 C33 H33 118.9 . . ?
C23 C33 H33 118.9 . . ?
C20 C34 H34 119.2 . . ?
C29 C34 C20 121.6(2) . . ?
C29 C34 H34 119.2 . . ?
C23 C35 H35 119.6 . . ?
C38 C35 C23 120.7(3) . . ?
C38 C35 H35 119.6 . . ?
C22 C36 C27 120.9(2) . . ?
C22 C36 H36 119.5 . . ?
C27 C36 H36 119.5 . . ?
C31 C37 H37 120.1 . . ?
C31 C37 C38 119.7(2) . . ?
C38 C37 H37 120.1 . . ?
C35 C38 C37 121.0(2) . . ?
C35 C38 H38 119.5 . . ?
C37 C38 H38 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
F1 C21 C24 C15 -0.3(4) . . . . ?
F1 C21 C25 C7 57.3(3) . . . . ?
N1 C2 C3 C7 69.3(3) . . . . ?
N1 C2 C3 C11 -111.4(2) . . . . ?
N1 C2 C10 C12 179.0(2) . . . . ?
N1 C2 C10 C13 -2.3(3) . . . . ?
N1 C17 C18 C13 -2.5(4) . . . . ?
C1 C5 C14 C7 0.8(3) . . . . ?
C1 C5 C26 C30 -0.2(3) . . . . ?
C1 C6 C19 C9 1.1(3) . . . . ?
C1 C6 C19 C27 -179.25(18) . . . . ?
C2 N1 C17 C18 3.2(4) . . . . ?
C2 C3 C7 C14 178.07(18) . . . . ?
C2 C3 C7 C25 1.2(3) . . . . ?
C2 C3 C11 C1 -177.80(17) . . . . ?
C2 C3 C11 C8 2.9(3) . . . . ?
C2 C10 C12 C28 177.3(2) . . . . ?
C2 C10 C13 C16 -176.4(2) . . . . ?
C2 C10 C13 C18 2.9(3) . . . . ?
C3 C2 C10 C12 -4.5(3) . . . . ?
C3 C2 C10 C13 174.23(19) . . . . ?
C3 C7 C14 C5 0.1(3) . . . . ?
C3 C7 C25 C21 67.7(3) . . . . ?
C4 C6 C19 C9 -179.11(18) . . . . ?
C4 C6 C19 C27 0.6(3) . . . . ?
C4 C22 C36 C27 1.0(4) . . . . ?
C5 C1 C6 C4 0.0(3) . . . . ?
C5 C1 C6 C19 179.83(18) . . . . ?
C5 C1 C11 C3 -0.6(3) . . . . ?
C5 C1 C11 C8 178.67(17) . . . . ?
C5 C26 C30 C4 -0.2(3) . . . . ?
C6 C1 C5 C14 -179.94(18) . . . . ?
C6 C1 C5 C26 0.3(3) . . . . ?
C6 C1 C11 C3 178.82(17) . . . . ?
C6 C1 C11 C8 -1.9(3) . . . . ?
C6 C4 C22 C36 0.0(3) . . . . ?
C6 C4 C30 C26 0.5(3) . . . . ?
C6 C19 C27 C36 0.5(3) . . . . ?
C7 C3 C11 C1 1.5(3) . . . . ?
C7 C3 C11 C8 -177.79(18) . . . . ?
C8 C9 C19 C6 -1.0(3) . . . . ?
C8 C9 C19 C27 179.4(2) . . . . ?
C9 C8 C11 C1 2.0(3) . . . . ?
C9 C8 C11 C3 -178.70(19) . . . . ?
C9 C19 C27 C36 -179.9(2) . . . . ?
C10 C2 C3 C7 -107.4(2) . . . . ?
C10 C2 C3 C11 71.9(3) . . . . ?
C10 C12 C28 C32 -0.3(3) . . . . ?
C10 C13 C16 C32 -1.7(3) . . . . ?
C10 C13 C18 C17 -0.7(3) . . . . ?
C11 C1 C5 C14 -0.5(3) . . . . ?
C11 C1 C5 C26 179.75(18) . . . . ?
C11 C1 C6 C4 -179.46(18) . . . . ?
C11 C1 C6 C19 0.4(3) . . . . ?
C11 C3 C7 C14 -1.2(3) . . . . ?
C11 C3 C7 C25 -178.08(19) . . . . ?
C11 C8 C9 C19 -0.6(3) . . . . ?
C12 C10 C13 C16 2.4(3) . . . . ?
C12 C10 C13 C18 -178.3(2) . . . . ?
C12 C28 C32 C16 1.0(4) . . . . ?
C13 C10 C12 C28 -1.5(3) . . . . ?
C13 C16 C32 C28 0.0(4) . . . . ?
C14 C5 C26 C30 -180.0(2) . . . . ?
C14 C7 C25 C21 -109.2(2) . . . . ?
C15 C29 C34 C20 -2.1(4) . . . . ?
C16 C13 C18 C17 178.6(2) . . . . ?
C17 N1 C2 C3 -177.37(19) . . . . ?
C17 N1 C2 C10 -0.7(3) . . . . ?
C18 C13 C16 C32 179.1(2) . . . . ?
C19 C27 C36 C22 -1.3(4) . . . . ?
C20 C23 C33 C15 -1.0(4) . . . . ?
C20 C23 C35 C38 -0.6(4) . . . . ?
C20 C31 C37 C38 -0.9(4) . . . . ?
C22 C4 C6 C1 179.01(18) . . . . ?
C22 C4 C6 C19 -0.8(3) . . . . ?
C22 C4 C30 C26 -178.9(2) . . . . ?
C23 C20 C31 C37 0.8(4) . . . . ?
C23 C20 C34 C29 -1.1(4) . . . . ?
C23 C35 C38 C37 0.5(4) . . . . ?
C24 C15 C29 C34 -175.0(2) . . . . ?
C24 C15 C33 C23 176.6(2) . . . . ?
C24 C21 C25 C7 -122.4(3) . . . . ?
C25 C7 C14 C5 177.00(18) . . . . ?
C25 C21 C24 C15 179.4(2) . . . . ?
C26 C5 C14 C7 -179.46(19) . . . . ?
C29 C15 C24 C21 144.5(3) . . . . ?
C29 C15 C33 C23 -2.1(4) . . . . ?
C30 C4 C6 C1 -0.4(3) . . . . ?
C30 C4 C6 C19 179.80(18) . . . . ?
C30 C4 C22 C36 179.4(2) . . . . ?
C31 C20 C23 C33 -177.0(2) . . . . ?
C31 C20 C23 C35 0.0(3) . . . . ?
C31 C20 C34 C29 178.5(3) . . . . ?
C31 C37 C38 C35 0.3(5) . . . . ?
C33 C15 C24 C21 -34.2(4) . . . . ?
C33 C15 C29 C34 3.7(4) . . . . ?
C33 C23 C35 C38 176.2(3) . . . . ?
C34 C20 C23 C33 2.6(3) . . . . ?
C34 C20 C23 C35 179.6(2) . . . . ?
C34 C20 C31 C37 -178.8(3) . . . . ?
C35 C23 C33 C15 -177.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
