# Supplementary Information (SI) for Chemical Science.
# 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 
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data_mo_xy_jj_1_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2347358'
loop_
_audit_author_name
_audit_author_address
'yang meng'
;sichuan university
China
;
_audit_update_record             
;
2024-04-11 deposited with the CCDC.	2024-07-22 downloaded from the CCDC.
;
_audit_creation_date             2024-03-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H27 F2 N'
_chemical_formula_sum            'C30 H27 F2 N'
_chemical_formula_weight         439.52
_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'

_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                   8.2817(6)
_cell_length_b                   12.1775(11)
_cell_length_c                   24.094(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.072(3)
_cell_angle_gamma                90
_cell_volume                     2423.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4430
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      22.36
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6929
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0953 before and 0.0545 after correction.
The Ratio of minimum to maximum transmission is 0.9293.
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    1.204
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            30065
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         2.381
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2837
_reflns_number_total             5558
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.223
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.031
_refine_ls_extinction_coef       0.0122(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5558
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1264
_refine_ls_R_factor_gt           0.0566
_refine_ls_restrained_S_all      1.012
_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)+(0.0581P)²+0.6569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1694
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 C27, F28
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C27 \\sim F28: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
4.a Ternary CH refined with riding coordinates:
 C5(H5)
4.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C25(H25A,H25B), C27(H27A,H27B)
4.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C28(H28), C3(H3), C8(H8), C10(H10), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24),
  C29(H29), C30(H30)
4.d X=CH2 refined with riding coordinates:
 C2(H2A,H2B)
;
_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 0.52380(18) 0.52251(14) 0.66118(7) 0.1010(6) Uani 1 1 d . . . . .
C2 C 0.3925(4) 0.8701(3) 0.50669(15) 0.1134(11) Uani 1 1 d . . . . .
H2A H 0.4222 0.8747 0.4703 0.136 Uiso 1 1 calc R U . . .
H2B H 0.3430 0.9295 0.5228 0.136 Uiso 1 1 calc R U . . .
N1 N 0.29480(19) 0.66666(14) 0.60638(7) 0.0559(5) Uani 1 1 d . . . . .
C1 C -0.0591(4) 0.3323(2) 0.58212(11) 0.0901(9) Uani 1 1 d . . . . .
H1 H -0.0993 0.2610 0.5825 0.108 Uiso 1 1 calc R U . . .
C28 C 0.1027(4) 0.3504(2) 0.57660(12) 0.0884(8) Uani 1 1 d . . . . .
H28 H 0.1721 0.2913 0.5730 0.106 Uiso 1 1 calc R U . . .
C3 C 0.1624(3) 0.4562(2) 0.57643(11) 0.0748(7) Uani 1 1 d . . . . .
H3 H 0.2723 0.4674 0.5729 0.090 Uiso 1 1 calc R U . . .
C4 C 0.0621(3) 0.54593(18) 0.58146(9) 0.0578(5) Uani 1 1 d . . . . .
C5 C 0.1306(2) 0.66160(17) 0.57826(9) 0.0565(5) Uani 1 1 d . . . . .
H5 H 0.1458 0.6736 0.5388 0.068 Uiso 1 1 calc R U . . .
C6 C 0.3028(3) 0.6428(2) 0.66589(9) 0.0623(6) Uani 1 1 d . . . . .
H6A H 0.2278 0.5839 0.6727 0.075 Uiso 1 1 calc R U . . .
H6B H 0.2692 0.7073 0.6857 0.075 Uiso 1 1 calc R U . . .
C7 C 0.4677(3) 0.61046(19) 0.68784(9) 0.0614(6) Uani 1 1 d . . . . .
C8 C 0.5561(3) 0.6553(2) 0.72885(10) 0.0660(6) Uani 1 1 d . . . . .
H8 H 0.5072 0.7150 0.7450 0.079 Uiso 1 1 calc R U . . .
C9 C 0.7173(3) 0.6296(2) 0.75422(9) 0.0638(6) Uani 1 1 d . . . . .
C10 C 0.8138(3) 0.54695(19) 0.73716(9) 0.0629(6) Uani 1 1 d . . . . .
H10 H 0.7745 0.5007 0.7086 0.075 Uiso 1 1 calc R U . . .
C11 C 0.9729(3) 0.5300(2) 0.76197(10) 0.0667(6) Uani 1 1 d . . . . .
C12 C 1.0755(3) 0.4488(2) 0.74282(12) 0.0811(8) Uani 1 1 d . . . . .
H12 H 1.0395 0.4035 0.7134 0.097 Uiso 1 1 calc R U . . .
C13 C 1.2280(3) 0.4361(3) 0.76723(15) 0.0975(10) Uani 1 1 d . . . . .
H13 H 1.2951 0.3821 0.7542 0.117 Uiso 1 1 calc R U . . .
C14 C 1.2848(4) 0.5023(3) 0.81119(17) 0.1091(11) Uani 1 1 d . . . . .
H14 H 1.3885 0.4916 0.8277 0.131 Uiso 1 1 calc R U . . .
C15 C -0.1956(3) 0.9201(2) 0.61933(15) 0.0918(9) Uani 1 1 d . . . . .
H15 H -0.2671 0.9758 0.6274 0.110 Uiso 1 1 calc R U . . .
C16 C -0.1553(3) 0.8406(2) 0.65757(12) 0.0768(7) Uani 1 1 d . . . . .
H16 H -0.1985 0.8425 0.6922 0.092 Uiso 1 1 calc R U . . .
C17 C -0.0512(2) 0.75727(19) 0.64529(10) 0.0652(6) Uani 1 1 d . . . . .
H17 H -0.0253 0.7033 0.6717 0.078 Uiso 1 1 calc R U . . .
C18 C 0.0158(2) 0.75247(18) 0.59420(9) 0.0586(6) Uani 1 1 d . . . . .
C19 C -0.1600(3) 0.4192(3) 0.58706(11) 0.0855(8) Uani 1 1 d . . . . .
H19 H -0.2697 0.4075 0.5908 0.103 Uiso 1 1 calc R U . . .
C20 C -0.0996(3) 0.5247(2) 0.58654(10) 0.0732(7) Uani 1 1 d . . . . .
H20 H -0.1702 0.5834 0.5897 0.088 Uiso 1 1 calc R U . . .
C21 C 0.7805(3) 0.6974(2) 0.79817(11) 0.0827(8) Uani 1 1 d . . . . .
H21 H 0.7166 0.7540 0.8104 0.099 Uiso 1 1 calc R U . . .
C22 C 0.9301(4) 0.6829(3) 0.82304(12) 0.0945(9) Uani 1 1 d . . . . .
H22 H 0.9667 0.7290 0.8520 0.113 Uiso 1 1 calc R U . . .
C23 C 1.0305(3) 0.5994(2) 0.80568(11) 0.0775(7) Uani 1 1 d . . . . .
C24 C 1.1905(4) 0.5819(3) 0.82997(14) 0.1052(10) Uani 1 1 d . . . . .
H24 H 1.2301 0.6262 0.8593 0.126 Uiso 1 1 calc R U . . .
C25 C 0.3813(3) 0.7683(2) 0.59494(10) 0.0687(6) Uani 1 1 d . . . . .
H25A H 0.4810 0.7709 0.6186 0.082 Uiso 1 1 calc R U . . .
H25B H 0.3155 0.8305 0.6045 0.082 Uiso 1 1 calc R U . . .
C26 C 0.4209(3) 0.7789(2) 0.53567(11) 0.0754(7) Uani 1 1 d . . . . .
C27 C 0.4987(4) 0.6821(3) 0.51272(12) 0.1080(11) Uani 1 1 d . U . . .
H27A H 0.6001 0.6676 0.5341 0.130 Uiso 1 1 calc R U . . .
H27B H 0.4293 0.6186 0.5159 0.130 Uiso 1 1 calc R U . . .
F28 F 0.5282(2) 0.6977(2) 0.45727(8) 0.1462(8) Uani 1 1 d . U . . .
C29 C -0.0254(3) 0.8341(2) 0.55627(11) 0.0787(7) Uani 1 1 d . . . . .
H29 H 0.0176 0.8331 0.5217 0.094 Uiso 1 1 calc R U . . .
C30 C -0.1298(4) 0.9175(2) 0.56894(14) 0.0968(9) Uani 1 1 d . . . . .
H30 H -0.1554 0.9723 0.5429 0.116 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 C7 1.349(3) . ?
C2 H2A 0.9300 . ?
C2 H2B 0.9300 . ?
C2 C26 1.324(4) . ?
N1 C5 1.477(2) . ?
N1 C6 1.460(3) . ?
N1 C25 1.466(3) . ?
C1 H1 0.9300 . ?
C1 C28 1.374(4) . ?
C1 C19 1.359(4) . ?
C28 H28 0.9300 . ?
C28 C3 1.380(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(3) . ?
C4 C5 1.522(3) . ?
C4 C20 1.377(3) . ?
C5 H5 0.9800 . ?
C5 C18 1.526(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.482(3) . ?
C7 C8 1.307(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.462(3) . ?
C9 C10 1.366(3) . ?
C9 C21 1.414(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.423(3) . ?
C11 C12 1.403(3) . ?
C11 C23 1.407(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.363(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.387(5) . ?
C14 H14 0.9300 . ?
C14 C24 1.343(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.362(4) . ?
C15 C30 1.366(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.387(3) . ?
C18 C29 1.377(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.380(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.349(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.397(4) . ?
C23 C24 1.426(4) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.493(3) . ?
C26 C27 1.470(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 F28 1.388(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.381(4) . ?
C30 H30 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
H2A C2 H2B 120.0 . . ?
C26 C2 H2A 120.0 . . ?
C26 C2 H2B 120.0 . . ?
C6 N1 C5 114.71(16) . . ?
C6 N1 C25 111.36(18) . . ?
C25 N1 C5 113.30(16) . . ?
C28 C1 H1 120.2 . . ?
C19 C1 H1 120.2 . . ?
C19 C1 C28 119.5(3) . . ?
C1 C28 H28 119.9 . . ?
C1 C28 C3 120.2(3) . . ?
C3 C28 H28 119.9 . . ?
C28 C3 H3 119.3 . . ?
C28 C3 C4 121.3(2) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 119.89(19) . . ?
C20 C4 C3 117.0(2) . . ?
C20 C4 C5 123.1(2) . . ?
N1 C5 C4 110.46(16) . . ?
N1 C5 H5 105.2 . . ?
N1 C5 C18 115.10(17) . . ?
C4 C5 H5 105.2 . . ?
C4 C5 C18 114.66(17) . . ?
C18 C5 H5 105.2 . . ?
N1 C6 H6A 109.1 . . ?
N1 C6 H6B 109.1 . . ?
N1 C6 C7 112.30(18) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
F1 C7 C6 112.4(2) . . ?
C8 C7 F1 119.9(2) . . ?
C8 C7 C6 127.7(2) . . ?
C7 C8 H8 113.9 . . ?
C7 C8 C9 132.2(2) . . ?
C9 C8 H8 113.9 . . ?
C10 C9 C8 124.6(2) . . ?
C10 C9 C21 117.5(2) . . ?
C21 C9 C8 117.8(2) . . ?
C9 C10 H10 119.2 . . ?
C9 C10 C11 121.7(2) . . ?
C11 C10 H10 119.2 . . ?
C12 C11 C10 121.9(2) . . ?
C12 C11 C23 119.2(2) . . ?
C23 C11 C10 118.8(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.2(3) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 119.9 . . ?
C24 C14 C13 120.2(3) . . ?
C24 C14 H14 119.9 . . ?
C16 C15 H15 120.3 . . ?
C16 C15 C30 119.4(3) . . ?
C30 C15 H15 120.3 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.2(2) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 C5 123.3(2) . . ?
C29 C18 C5 119.1(2) . . ?
C29 C18 C17 117.6(2) . . ?
C1 C19 H19 120.0 . . ?
C1 C19 C20 119.9(3) . . ?
C20 C19 H19 120.0 . . ?
C4 C20 C19 122.1(3) . . ?
C4 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C9 C21 H21 118.8 . . ?
C22 C21 C9 122.4(3) . . ?
C22 C21 H21 118.8 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C11 C23 C24 118.2(3) . . ?
C22 C23 C11 119.0(2) . . ?
C22 C23 C24 122.8(3) . . ?
C14 C24 C23 121.0(3) . . ?
C14 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
N1 C25 H25A 108.9 . . ?
N1 C25 H25B 108.9 . . ?
N1 C25 C26 113.3(2) . . ?
H25A C25 H25B 107.7 . . ?
C26 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C2 C26 C25 122.3(3) . . ?
C2 C26 C27 122.7(3) . . ?
C27 C26 C25 115.0(2) . . ?
C26 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
F28 C27 C26 111.4(3) . . ?
F28 C27 H27A 109.4 . . ?
F28 C27 H27B 109.4 . . ?
C18 C29 H29 119.6 . . ?
C18 C29 C30 120.9(3) . . ?
C30 C29 H29 119.6 . . ?
C15 C30 C29 120.6(3) . . ?
C15 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?

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 C7 C8 C9 0.6(4) . . . . ?
C2 C26 C27 F28 -3.4(4) . . . . ?
N1 C5 C18 C17 -72.4(3) . . . . ?
N1 C5 C18 C29 108.0(2) . . . . ?
N1 C6 C7 F1 -57.4(3) . . . . ?
N1 C6 C7 C8 124.1(3) . . . . ?
N1 C25 C26 C2 132.6(3) . . . . ?
N1 C25 C26 C27 -49.5(3) . . . . ?
C1 C28 C3 C4 -0.4(4) . . . . ?
C1 C19 C20 C4 -0.4(4) . . . . ?
C28 C1 C19 C20 0.0(4) . . . . ?
C28 C3 C4 C5 -177.0(2) . . . . ?
C28 C3 C4 C20 -0.1(4) . . . . ?
C3 C4 C5 N1 -38.0(3) . . . . ?
C3 C4 C5 C18 -170.0(2) . . . . ?
C3 C4 C20 C19 0.4(4) . . . . ?
C4 C5 C18 C17 57.4(3) . . . . ?
C4 C5 C18 C29 -122.2(2) . . . . ?
C5 N1 C6 C7 159.84(19) . . . . ?
C5 N1 C25 C26 -66.6(2) . . . . ?
C5 C4 C20 C19 177.3(2) . . . . ?
C5 C18 C29 C30 179.6(2) . . . . ?
C6 N1 C5 C4 -62.8(2) . . . . ?
C6 N1 C5 C18 69.0(2) . . . . ?
C6 N1 C25 C26 162.28(18) . . . . ?
C6 C7 C8 C9 179.0(2) . . . . ?
C7 C8 C9 C10 1.2(4) . . . . ?
C7 C8 C9 C21 178.7(3) . . . . ?
C8 C9 C10 C11 176.8(2) . . . . ?
C8 C9 C21 C22 -177.7(3) . . . . ?
C9 C10 C11 C12 -176.8(2) . . . . ?
C9 C10 C11 C23 0.9(3) . . . . ?
C9 C21 C22 C23 0.5(5) . . . . ?
C10 C9 C21 C22 0.0(4) . . . . ?
C10 C11 C12 C13 179.1(2) . . . . ?
C10 C11 C23 C22 -0.4(4) . . . . ?
C10 C11 C23 C24 -179.6(2) . . . . ?
C11 C12 C13 C14 0.1(4) . . . . ?
C11 C23 C24 C14 0.9(4) . . . . ?
C12 C11 C23 C22 177.4(2) . . . . ?
C12 C11 C23 C24 -1.9(4) . . . . ?
C12 C13 C14 C24 -1.1(5) . . . . ?
C13 C14 C24 C23 0.6(5) . . . . ?
C15 C16 C17 C18 0.4(4) . . . . ?
C16 C15 C30 C29 1.1(5) . . . . ?
C16 C17 C18 C5 -179.5(2) . . . . ?
C16 C17 C18 C29 0.1(3) . . . . ?
C17 C18 C29 C30 0.0(4) . . . . ?
C18 C29 C30 C15 -0.6(5) . . . . ?
C19 C1 C28 C3 0.4(4) . . . . ?
C20 C4 C5 N1 145.3(2) . . . . ?
C20 C4 C5 C18 13.3(3) . . . . ?
C21 C9 C10 C11 -0.8(3) . . . . ?
C21 C22 C23 C11 -0.3(4) . . . . ?
C21 C22 C23 C24 178.9(3) . . . . ?
C22 C23 C24 C14 -178.3(3) . . . . ?
C23 C11 C12 C13 1.4(4) . . . . ?
C25 N1 C5 C4 167.81(17) . . . . ?
C25 N1 C5 C18 -60.4(2) . . . . ?
C25 N1 C6 C7 -69.8(2) . . . . ?
C25 C26 C27 F28 178.7(2) . . . . ?
C30 C15 C16 C17 -0.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
