# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2203307'
loop_
_audit_author_name
_audit_author_address
'Chen Jian-Qiang'
;taizhou university
China
;
_audit_update_record             
;
2022-08-24 deposited with the CCDC.	2023-03-10 downloaded from the CCDC.
;
_audit_creation_date             2022-08-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 F N O3'
_chemical_formula_sum            'C25 H18 F N O3'
_chemical_formula_weight         399.40
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.665(3)
_cell_length_b                   9.9238(11)
_cell_length_c                   18.980(2)
_cell_angle_alpha                90
_cell_angle_beta                 117.870(2)
_cell_angle_gamma                90
_cell_volume                     3940.4(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4268
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.233
_cell_measurement_theta_min      2.428
_shelx_estimated_absorpt_T_max   0.979
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9740
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.782
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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                2768
_reflns_number_total             3462
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3462
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0378
_refine_ls_restrained_S_all      1.041
_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)+(0.0747P)²+0.6173P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1155
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C21(H21), C11(H11), C13(H13), C25(H25), C3(H3), C12(H12), C5(H5),
 C22(H22), C2(H2), C6(H6), C23(H23), C24(H24)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C)
;
_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
O2 O 0.20878(5) 0.60867(11) 0.26036(6) 0.0433(3) Uani 1 1 d . . . . .
O1 O 0.39758(5) 0.37736(11) 0.27319(6) 0.0465(3) Uani 1 1 d . . . . .
F0AA F 0.08367(6) 0.44561(13) 0.46999(7) 0.0753(4) Uani 1 1 d . . . . .
O3 O 0.20168(6) 0.66956(14) 0.14498(7) 0.0610(4) Uani 1 1 d . . . . .
N1 N 0.41871(5) 0.37191(11) 0.40260(7) 0.0326(3) Uani 1 1 d . . . . .
C9 C 0.35255(6) 0.49505(14) 0.44830(8) 0.0313(3) Uani 1 1 d . . . . .
C17 C 0.33679(6) 0.53196(14) 0.30825(8) 0.0313(3) Uani 1 1 d . . . . .
C14 C 0.40821(6) 0.42137(13) 0.46577(8) 0.0302(3) Uani 1 1 d . . . . .
C20 C 0.37023(6) 0.66795(13) 0.31291(8) 0.0318(3) Uani 1 1 d . . . . .
C8 C 0.30747(6) 0.52379(13) 0.36396(8) 0.0314(3) Uani 1 1 d . . . . .
C4 C 0.20369(6) 0.52371(14) 0.37376(8) 0.0351(3) Uani 1 1 d . . . . .
C16 C 0.38674(7) 0.41939(14) 0.32641(8) 0.0326(3) Uani 1 1 d . . . . .
C10 C 0.34550(7) 0.54882(14) 0.51188(8) 0.0368(3) Uani 1 1 d . . . . .
H10 H 0.3098 0.6013 0.5011 0.044 Uiso 1 1 calc R . . . .
C7 C 0.24489(7) 0.54834(14) 0.33568(8) 0.0349(3) Uani 1 1 d . . . . .
C21 C 0.39646(7) 0.69276(16) 0.26206(9) 0.0401(4) Uani 1 1 d . . . . .
H21 H 0.3940 0.6267 0.2260 0.048 Uiso 1 1 calc R . . . .
C11 C 0.39007(7) 0.52621(15) 0.59016(8) 0.0408(4) Uani 1 1 d . . . . .
H11 H 0.3844 0.5626 0.6316 0.049 Uiso 1 1 calc R . . . .
C13 C 0.45285(7) 0.39730(15) 0.54489(8) 0.0387(3) Uani 1 1 d . . . . .
H13 H 0.4892 0.3465 0.5564 0.046 Uiso 1 1 calc R . . . .
C18 C 0.28297(7) 0.50693(16) 0.22227(8) 0.0391(4) Uani 1 1 d . . . . .
H18A H 0.2995 0.5201 0.1846 0.047 Uiso 1 1 calc R . . . .
H18B H 0.2678 0.4148 0.2173 0.047 Uiso 1 1 calc R . . . .
C25 C 0.37478(7) 0.76893(15) 0.36630(9) 0.0422(4) Uani 1 1 d . . . . .
H25 H 0.3573 0.7555 0.4006 0.051 Uiso 1 1 calc R . . . .
C3 C 0.20830(7) 0.40244(16) 0.41334(9) 0.0422(4) Uani 1 1 d . . . . .
H3 H 0.2385 0.3387 0.4174 0.051 Uiso 1 1 calc R . . . .
C19 C 0.22909(7) 0.60222(16) 0.20397(8) 0.0405(4) Uani 1 1 d . . . . .
C12 C 0.44337(7) 0.44856(15) 0.60613(9) 0.0425(4) Uani 1 1 d . . . . .
H12 H 0.4731 0.4308 0.6587 0.051 Uiso 1 1 calc R . . . .
C5 C 0.15713(8) 0.61667(16) 0.36595(10) 0.0465(4) Uani 1 1 d . . . . .
H5 H 0.1528 0.6964 0.3381 0.056 Uiso 1 1 calc R . . . .
C1 C 0.12401(8) 0.47187(18) 0.43904(10) 0.0486(4) Uani 1 1 d . . . . .
C22 C 0.42598(8) 0.81339(17) 0.26427(10) 0.0488(4) Uani 1 1 d . . . . .
H22 H 0.4426 0.8283 0.2292 0.059 Uiso 1 1 calc R . . . .
C2 C 0.16836(8) 0.37595(18) 0.44663(9) 0.0490(4) Uani 1 1 d . . . . .
H2 H 0.1715 0.2955 0.4734 0.059 Uiso 1 1 calc R . . . .
C15 C 0.46658(8) 0.26608(15) 0.41934(10) 0.0477(4) Uani 1 1 d . . . . .
H15A H 0.5086 0.3050 0.4449 0.071 Uiso 1 1 calc GR . . . .
H15B H 0.4596 0.2243 0.3703 0.071 Uiso 1 1 calc GR . . . .
H15C H 0.4629 0.1996 0.4537 0.071 Uiso 1 1 calc GR . . . .
C6 C 0.11718(8) 0.59105(19) 0.39941(11) 0.0539(4) Uani 1 1 d . . . . .
H6 H 0.0864 0.6535 0.3950 0.065 Uiso 1 1 calc R . . . .
C23 C 0.43111(8) 0.91172(18) 0.31769(11) 0.0548(4) Uani 1 1 d . . . . .
H23 H 0.4517 0.9925 0.3196 0.066 Uiso 1 1 calc R . . . .
C24 C 0.40531(9) 0.88928(17) 0.36855(11) 0.0560(5) Uani 1 1 d . . . . .
H24 H 0.4085 0.9557 0.4048 0.067 Uiso 1 1 calc R . . . .


_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 C7 1.4107(16) . ?
O2 C19 1.3646(17) . ?
O1 C16 1.2257(16) . ?
F0AA C1 1.3598(18) . ?
O3 C19 1.2008(18) . ?
N1 C14 1.4208(17) . ?
N1 C16 1.3648(18) . ?
N1 C15 1.4665(18) . ?
C9 C14 1.4040(19) . ?
C9 C8 1.4783(19) . ?
C9 C10 1.3989(19) . ?
C17 C20 1.5459(19) . ?
C17 C8 1.5141(18) . ?
C17 C16 1.5437(19) . ?
C17 C18 1.5504(19) . ?
C14 C13 1.3947(19) . ?
C20 C21 1.3918(19) . ?
C20 C25 1.393(2) . ?
C8 C7 1.341(2) . ?
C4 C7 1.4805(19) . ?
C4 C3 1.396(2) . ?
C4 C5 1.391(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.380(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.377(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.385(2) . ?
C13 H13 0.9300 . ?
C13 C12 1.380(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.492(2) . ?
C25 H25 0.9300 . ?
C25 C24 1.386(2) . ?
C3 H3 0.9300 . ?
C3 C2 1.386(2) . ?
C12 H12 0.9300 . ?
C5 H5 0.9300 . ?
C5 C6 1.387(2) . ?
C1 C2 1.374(2) . ?
C1 C6 1.370(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.371(2) . ?
C2 H2 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C6 H6 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.380(2) . ?
C24 H24 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
C19 O2 C7 120.41(11) . . ?
C14 N1 C15 119.12(11) . . ?
C16 N1 C14 123.08(11) . . ?
C16 N1 C15 117.79(11) . . ?
C14 C9 C8 118.60(12) . . ?
C10 C9 C14 118.17(12) . . ?
C10 C9 C8 122.93(13) . . ?
C20 C17 C18 110.29(11) . . ?
C8 C17 C20 113.35(11) . . ?
C8 C17 C16 111.00(11) . . ?
C8 C17 C18 107.89(11) . . ?
C16 C17 C20 107.51(11) . . ?
C16 C17 C18 106.59(11) . . ?
C9 C14 N1 119.71(12) . . ?
C13 C14 N1 120.41(12) . . ?
C13 C14 C9 119.88(12) . . ?
C21 C20 C17 119.80(12) . . ?
C21 C20 C25 117.98(13) . . ?
C25 C20 C17 122.21(12) . . ?
C9 C8 C17 115.60(11) . . ?
C7 C8 C9 124.87(12) . . ?
C7 C8 C17 119.46(12) . . ?
C3 C4 C7 120.10(13) . . ?
C5 C4 C7 120.54(13) . . ?
C5 C4 C3 119.21(13) . . ?
O1 C16 N1 121.99(13) . . ?
O1 C16 C17 119.71(12) . . ?
N1 C16 C17 118.28(11) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.82(13) . . ?
C11 C10 H10 119.1 . . ?
O2 C7 C4 109.85(11) . . ?
C8 C7 O2 121.02(12) . . ?
C8 C7 C4 129.11(12) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.14(14) . . ?
C22 C21 H21 119.4 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.04(13) . . ?
C12 C11 H11 120.5 . . ?
C14 C13 H13 119.9 . . ?
C12 C13 C14 120.28(13) . . ?
C12 C13 H13 119.9 . . ?
C17 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 C17 109.61(12) . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C20 C25 H25 119.9 . . ?
C24 C25 C20 120.28(15) . . ?
C24 C25 H25 119.9 . . ?
C4 C3 H3 119.6 . . ?
C2 C3 C4 120.71(14) . . ?
C2 C3 H3 119.6 . . ?
O2 C19 C18 115.03(12) . . ?
O3 C19 O2 118.05(14) . . ?
O3 C19 C18 126.89(14) . . ?
C11 C12 C13 120.71(13) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.35(15) . . ?
C6 C5 H5 119.8 . . ?
F0AA C1 C2 118.57(15) . . ?
F0AA C1 C6 118.43(15) . . ?
C2 C1 C6 122.96(15) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.64(15) . . ?
C23 C22 H22 119.7 . . ?
C3 C2 H2 120.9 . . ?
C1 C2 C3 118.12(15) . . ?
C1 C2 H2 120.9 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C5 C6 H6 120.7 . . ?
C1 C6 C5 118.62(15) . . ?
C1 C6 H6 120.7 . . ?
C22 C23 H23 120.4 . . ?
C22 C23 C24 119.15(16) . . ?
C24 C23 H23 120.4 . . ?
C25 C24 H24 119.6 . . ?
C23 C24 C25 120.80(15) . . ?
C23 C24 H24 119.6 . . ?

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
F0AA C1 C2 C3 178.59(14) . . . . ?
F0AA C1 C6 C5 -178.33(15) . . . . ?
N1 C14 C13 C12 178.23(13) . . . . ?
C9 C14 C13 C12 -1.7(2) . . . . ?
C9 C8 C7 O2 163.23(13) . . . . ?
C9 C8 C7 C4 -15.2(2) . . . . ?
C9 C10 C11 C12 0.3(2) . . . . ?
C17 C20 C21 C22 179.36(13) . . . . ?
C17 C20 C25 C24 179.88(14) . . . . ?
C17 C8 C7 O2 -13.5(2) . . . . ?
C17 C8 C7 C4 168.10(13) . . . . ?
C17 C18 C19 O2 -49.19(17) . . . . ?
C17 C18 C19 O3 132.67(16) . . . . ?
C14 N1 C16 O1 178.34(12) . . . . ?
C14 N1 C16 C17 -0.10(19) . . . . ?
C14 C9 C8 C17 -27.89(18) . . . . ?
C14 C9 C8 C7 155.26(14) . . . . ?
C14 C9 C10 C11 -2.9(2) . . . . ?
C14 C13 C12 C11 -1.0(2) . . . . ?
C20 C17 C8 C9 -79.15(14) . . . . ?
C20 C17 C8 C7 97.87(15) . . . . ?
C20 C17 C16 O1 -82.81(15) . . . . ?
C20 C17 C16 N1 95.66(14) . . . . ?
C20 C17 C18 C19 -70.32(15) . . . . ?
C20 C21 C22 C23 1.0(2) . . . . ?
C20 C25 C24 C23 0.6(3) . . . . ?
C8 C9 C14 N1 -2.45(19) . . . . ?
C8 C9 C14 C13 177.47(12) . . . . ?
C8 C9 C10 C11 -176.52(13) . . . . ?
C8 C17 C20 C21 -176.62(12) . . . . ?
C8 C17 C20 C25 2.77(18) . . . . ?
C8 C17 C16 O1 152.70(13) . . . . ?
C8 C17 C16 N1 -28.83(16) . . . . ?
C8 C17 C18 C19 53.97(15) . . . . ?
C4 C3 C2 C1 0.4(2) . . . . ?
C4 C5 C6 C1 -1.0(3) . . . . ?
C16 N1 C14 C9 17.4(2) . . . . ?
C16 N1 C14 C13 -162.57(12) . . . . ?
C16 C17 C20 C21 60.31(15) . . . . ?
C16 C17 C20 C25 -120.29(14) . . . . ?
C16 C17 C8 C9 41.96(15) . . . . ?
C16 C17 C8 C7 -141.01(13) . . . . ?
C16 C17 C18 C19 173.26(12) . . . . ?
C10 C9 C14 N1 -176.38(12) . . . . ?
C10 C9 C14 C13 3.5(2) . . . . ?
C10 C9 C8 C17 145.73(13) . . . . ?
C10 C9 C8 C7 -31.1(2) . . . . ?
C10 C11 C12 C13 1.7(2) . . . . ?
C7 O2 C19 O3 -170.33(14) . . . . ?
C7 O2 C19 C18 11.36(19) . . . . ?
C7 C4 C3 C2 -177.53(14) . . . . ?
C7 C4 C5 C6 177.78(15) . . . . ?
C21 C20 C25 C24 -0.7(2) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
C18 C17 C20 C21 -55.53(16) . . . . ?
C18 C17 C20 C25 123.86(14) . . . . ?
C18 C17 C8 C9 158.41(12) . . . . ?
C18 C17 C8 C7 -24.56(17) . . . . ?
C18 C17 C16 O1 35.45(17) . . . . ?
C18 C17 C16 N1 -146.08(12) . . . . ?
C25 C20 C21 C22 -0.1(2) . . . . ?
C3 C4 C7 O2 137.40(14) . . . . ?
C3 C4 C7 C8 -44.1(2) . . . . ?
C3 C4 C5 C6 2.1(2) . . . . ?
C19 O2 C7 C8 22.3(2) . . . . ?
C19 O2 C7 C4 -159.00(13) . . . . ?
C5 C4 C7 O2 -38.21(18) . . . . ?
C5 C4 C7 C8 140.33(17) . . . . ?
C5 C4 C3 C2 -1.9(2) . . . . ?
C22 C23 C24 C25 0.3(3) . . . . ?
C2 C1 C6 C5 -0.5(3) . . . . ?
C15 N1 C14 C9 -163.45(13) . . . . ?
C15 N1 C14 C13 16.63(19) . . . . ?
C15 N1 C16 O1 -0.9(2) . . . . ?
C15 N1 C16 C17 -179.30(12) . . . . ?
C6 C1 C2 C3 0.8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
