# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2470140'
loop_
_audit_author_name
_audit_author_address
'Wen-Chao Yang'
;Yangzhou University
China
;
_audit_update_record             
;
2025-07-05 deposited with the CCDC.	2025-09-08 downloaded from the CCDC.
;
_audit_creation_date             2025-04-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H20 F2 N2 O2'
_chemical_formula_sum            'C21 H20 F2 N2 O2'
_chemical_formula_weight         370.39
_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           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                   12.6342(8)
_cell_length_b                   10.2128(5)
_cell_length_c                   15.7401(10)
_cell_angle_alpha                90
_cell_angle_beta                 108.483(2)
_cell_angle_gamma                90
_cell_volume                     1926.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      23.29
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.990
_shelx_estimated_absorpt_T_min   0.982
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1280 before and 0.0712 after correction.
The Ratio of minimum to maximum transmission is 0.8868.
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    1.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0823
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            53587
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         2.416
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.990
_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_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3262
_reflns_number_total             4380
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.028
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4380
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0515
_refine_ls_restrained_S_all      1.065
_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)+(0.0479P)²+0.4192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1288
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
O1 \\sim C11 \\sim C12 \\sim C11A \\sim C12A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
3. Rigid body (RIGU) restrains
 O1, C11, C12, C11A, C12A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Same fragment restrains
{O1, C11A, C12A} sigma for 1-2: 0.01, 1-3: 0.02
as in
{O1, C11, C12}
5. Others
 Sof(C11A)=Sof(H11C)=Sof(H11D)=Sof(C12A)=Sof(H12D)=Sof(H12E)=Sof(H12F)=1-FVAR(1)
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C10(H10)
6.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C13(H13A,H13B), C11A(H11C,H11D)
6.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C17(H17), C18(H18),
 C19(H19), C20(H20), C21(H21)
6.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C12A(H12D,H12E,H12F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.28986(8) 0.55826(10) 0.81761(7) 0.0675(3) Uani 1 1 d . . . . .
F2 F 0.43204(11) 0.65582(10) 0.91237(7) 0.0764(4) Uani 1 1 d . . . . .
O1 O 0.44045(11) 0.39423(11) 0.70986(8) 0.0622(3) Uani 1 1 d D U . . .
C11 C 0.366(3) 0.314(2) 0.6404(9) 0.082(3) Uani 0.232(15) 1 d D U P A 1
H11A H 0.394779 0.225609 0.644224 0.098 Uiso 0.232(15) 1 calc R U P A 1
H11B H 0.292911 0.311677 0.647563 0.098 Uiso 0.232(15) 1 calc R U P A 1
C12 C 0.359(3) 0.3703(19) 0.5550(8) 0.121(5) Uani 0.232(15) 1 d D U P A 1
H12A H 0.294901 0.335978 0.509875 0.181 Uiso 0.232(15) 1 calc R U P A 1
H12B H 0.425234 0.348594 0.540174 0.181 Uiso 0.232(15) 1 calc R U P A 1
H12C H 0.352838 0.463777 0.557761 0.181 Uiso 0.232(15) 1 calc R U P A 1
O2 O 0.52472(9) 0.68485(12) 0.77488(8) 0.0584(3) Uani 1 1 d . . . . .
N1 N 0.40514(11) 0.13358(13) 0.84334(10) 0.0542(4) Uani 1 1 d . . . . .
N2 N 0.33939(10) 0.69540(12) 0.69558(9) 0.0471(3) Uani 1 1 d . . . . .
H2 H 0.275193 0.666346 0.694786 0.057 Uiso 1 1 calc R U . . .
C1 C 0.47182(13) 0.21302(15) 0.81819(11) 0.0481(4) Uani 1 1 d . . . . .
C2 C 0.58167(13) 0.17744(15) 0.82033(10) 0.0476(4) Uani 1 1 d . . . . .
C3 C 0.65570(15) 0.26023(19) 0.79433(13) 0.0627(5) Uani 1 1 d . . . . .
H3 H 0.634459 0.345650 0.776367 0.075 Uiso 1 1 calc R U . . .
C4 C 0.75773(16) 0.2161(2) 0.79535(15) 0.0734(6) Uani 1 1 d . . . . .
H4 H 0.805560 0.271831 0.778234 0.088 Uiso 1 1 calc R U . . .
C5 C 0.79148(16) 0.0882(2) 0.82178(14) 0.0742(6) Uani 1 1 d . . . . .
H5 H 0.860743 0.058847 0.820734 0.089 Uiso 1 1 calc R U . . .
C6 C 0.72442(15) 0.00684(19) 0.84880(13) 0.0648(5) Uani 1 1 d . . . . .
H6 H 0.748468 -0.077662 0.867148 0.078 Uiso 1 1 calc R U . . .
C7 C 0.61769(13) 0.04851(15) 0.84961(11) 0.0496(4) Uani 1 1 d . . . . .
C8 C 0.54498(14) -0.03203(16) 0.87726(12) 0.0562(4) Uani 1 1 d . . . . .
H8 H 0.566840 -0.116235 0.897948 0.067 Uiso 1 1 calc R U . . .
C9 C 0.44360(15) 0.01252(17) 0.87386(13) 0.0594(4) Uani 1 1 d . . . . .
H9 H 0.397343 -0.042388 0.893418 0.071 Uiso 1 1 calc R U . . .
C10 C 0.42051(14) 0.34668(15) 0.78761(12) 0.0520(4) Uani 1 1 d . . . . .
H10 H 0.339576 0.338840 0.774388 0.062 Uiso 1 1 calc R U . . .
C13 C 0.46207(14) 0.44860(15) 0.86045(11) 0.0534(4) Uani 1 1 d . . . . .
H13A H 0.452758 0.415560 0.915423 0.064 Uiso 1 1 calc R U . . .
H13B H 0.541172 0.462720 0.871226 0.064 Uiso 1 1 calc R U . . .
C14 C 0.40186(14) 0.57758(16) 0.83727(11) 0.0509(4) Uani 1 1 d . . . . .
C15 C 0.42775(12) 0.65772(14) 0.76432(10) 0.0449(4) Uani 1 1 d . . . . .
C16 C 0.34177(12) 0.77845(15) 0.62422(11) 0.0467(4) Uani 1 1 d . . . . .
C17 C 0.41966(15) 0.87773(18) 0.63502(12) 0.0607(5) Uani 1 1 d . . . . .
H17 H 0.476423 0.887830 0.689228 0.073 Uiso 1 1 calc R U . . .
C18 C 0.41219(18) 0.9614(2) 0.56462(15) 0.0748(6) Uani 1 1 d . . . . .
H18 H 0.463812 1.028791 0.571751 0.090 Uiso 1 1 calc R U . . .
C19 C 0.32881(19) 0.9462(2) 0.48359(15) 0.0817(6) Uani 1 1 d . . . . .
H19 H 0.324865 1.002505 0.436242 0.098 Uiso 1 1 calc R U . . .
C20 C 0.25204(17) 0.8481(2) 0.47325(14) 0.0748(6) Uani 1 1 d . . . . .
H20 H 0.195744 0.837433 0.418839 0.090 Uiso 1 1 calc R U . . .
C21 C 0.25835(15) 0.76527(18) 0.54341(12) 0.0608(5) Uani 1 1 d . . . . .
H21 H 0.205491 0.699300 0.536256 0.073 Uiso 1 1 calc R U . . .
C11A C 0.3865(7) 0.3241(8) 0.6284(3) 0.0864(16) Uani 0.768(15) 1 d D U P A 2
H11C H 0.394845 0.230639 0.639506 0.104 Uiso 0.768(15) 1 calc R U P A 2
H11D H 0.307423 0.344383 0.608022 0.104 Uiso 0.768(15) 1 calc R U P A 2
C12A C 0.4348(9) 0.3597(6) 0.5605(3) 0.125(2) Uani 0.768(15) 1 d D U P A 2
H12D H 0.395988 0.315404 0.505690 0.187 Uiso 0.768(15) 1 calc R U P A 2
H12E H 0.512067 0.334926 0.579392 0.187 Uiso 0.768(15) 1 calc R U P A 2
H12F H 0.428623 0.452643 0.551052 0.187 Uiso 0.768(15) 1 calc R U P A 2


_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 C14 1.3635(18) . ?
F2 C14 1.3768(19) . ?
O1 C11 1.445(9) . ?
O1 C10 1.411(2) . ?
O1 C11A 1.438(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.437(10) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
O2 C15 1.2149(17) . ?
N1 C1 1.318(2) . ?
N1 C9 1.359(2) . ?
N2 H2 0.8600 . ?
N2 C15 1.3414(19) . ?
N2 C16 1.415(2) . ?
C1 C2 1.425(2) . ?
C1 C10 1.522(2) . ?
C2 C3 1.414(2) . ?
C2 C7 1.421(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.361(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.396(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.348(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.418(2) . ?
C7 C8 1.401(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.344(2) . ?
C9 H9 0.9300 . ?
C10 H10 0.9800 . ?
C10 C13 1.514(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.507(2) . ?
C14 C15 1.528(2) . ?
C16 C17 1.385(2) . ?
C16 C21 1.377(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.379(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.382(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.368(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.373(3) . ?
C21 H21 0.9300 . ?
C11A H11C 0.9700 . ?
C11A H11D 0.9700 . ?
C11A C12A 1.435(6) . ?
C12A H12D 0.9600 . ?
C12A H12E 0.9600 . ?
C12A H12F 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
C10 O1 C11 102.2(8) . . ?
C10 O1 C11A 115.9(3) . . ?
O1 C11 H11A 110.0 . . ?
O1 C11 H11B 110.0 . . ?
H11A C11 H11B 108.4 . . ?
C12 C11 O1 108.5(10) . . ?
C12 C11 H11A 110.0 . . ?
C12 C11 H11B 110.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C1 N1 C9 118.37(14) . . ?
C15 N2 H2 116.9 . . ?
C15 N2 C16 126.18(13) . . ?
C16 N2 H2 116.9 . . ?
N1 C1 C2 123.14(14) . . ?
N1 C1 C10 113.47(14) . . ?
C2 C1 C10 123.38(14) . . ?
C3 C2 C1 124.70(15) . . ?
C3 C2 C7 118.33(15) . . ?
C7 C2 C1 116.95(14) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.63(17) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.80(19) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.50(18) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 119.6 . . ?
C5 C6 C7 120.84(17) . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C2 118.86(16) . . ?
C8 C7 C2 118.07(14) . . ?
C8 C7 C6 123.07(16) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.95(15) . . ?
C9 C8 H8 120.0 . . ?
N1 C9 H9 118.3 . . ?
C8 C9 N1 123.46(16) . . ?
C8 C9 H9 118.3 . . ?
O1 C10 C1 114.05(14) . . ?
O1 C10 H10 107.8 . . ?
O1 C10 C13 107.80(13) . . ?
C1 C10 H10 107.8 . . ?
C13 C10 C1 111.49(13) . . ?
C13 C10 H10 107.8 . . ?
C10 C13 H13A 109.0 . . ?
C10 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
C14 C13 C10 112.98(13) . . ?
C14 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
F1 C14 F2 105.30(13) . . ?
F1 C14 C13 109.65(13) . . ?
F1 C14 C15 111.16(13) . . ?
F2 C14 C13 108.56(13) . . ?
F2 C14 C15 105.51(13) . . ?
C13 C14 C15 116.00(13) . . ?
O2 C15 N2 126.17(15) . . ?
O2 C15 C14 117.79(14) . . ?
N2 C15 C14 115.99(13) . . ?
C17 C16 N2 122.29(15) . . ?
C21 C16 N2 118.15(14) . . ?
C21 C16 C17 119.39(16) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 C16 119.35(17) . . ?
C18 C17 H17 120.3 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.67(19) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.77(19) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.82(19) . . ?
C21 C20 H20 120.1 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 120.99(17) . . ?
C20 C21 H21 119.5 . . ?
O1 C11A H11C 109.6 . . ?
O1 C11A H11D 109.6 . . ?
H11C C11A H11D 108.1 . . ?
C12A C11A O1 110.1(4) . . ?
C12A C11A H11C 109.6 . . ?
C12A C11A H11D 109.6 . . ?
C11A C12A H12D 109.5 . . ?
C11A C12A H12E 109.5 . . ?
C11A C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?

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 C14 C15 O2 178.12(13) . . . . ?
F1 C14 C15 N2 0.39(19) . . . . ?
F2 C14 C15 O2 64.48(17) . . . . ?
F2 C14 C15 N2 -113.26(15) . . . . ?
O1 C10 C13 C14 61.75(18) . . . . ?
C11 O1 C10 C1 74.1(15) . . . . ?
C11 O1 C10 C13 -161.5(15) . . . . ?
N1 C1 C2 C3 -179.66(17) . . . . ?
N1 C1 C2 C7 1.3(2) . . . . ?
N1 C1 C10 O1 -137.43(15) . . . . ?
N1 C1 C10 C13 100.20(17) . . . . ?
N2 C16 C17 C18 -175.11(17) . . . . ?
N2 C16 C21 C20 176.01(17) . . . . ?
C1 N1 C9 C8 -2.1(3) . . . . ?
C1 C2 C3 C4 -177.45(18) . . . . ?
C1 C2 C7 C6 177.07(15) . . . . ?
C1 C2 C7 C8 -2.4(2) . . . . ?
C1 C10 C13 C14 -172.35(14) . . . . ?
C2 C1 C10 O1 43.2(2) . . . . ?
C2 C1 C10 C13 -79.2(2) . . . . ?
C2 C3 C4 C5 0.2(3) . . . . ?
C2 C7 C8 C9 1.3(2) . . . . ?
C3 C2 C7 C6 -2.0(2) . . . . ?
C3 C2 C7 C8 178.54(16) . . . . ?
C3 C4 C5 C6 -1.5(3) . . . . ?
C4 C5 C6 C7 1.0(3) . . . . ?
C5 C6 C7 C2 0.8(3) . . . . ?
C5 C6 C7 C8 -179.84(18) . . . . ?
C6 C7 C8 C9 -178.06(17) . . . . ?
C7 C2 C3 C4 1.6(3) . . . . ?
C7 C8 C9 N1 0.9(3) . . . . ?
C9 N1 C1 C2 0.9(2) . . . . ?
C9 N1 C1 C10 -178.53(15) . . . . ?
C10 O1 C11 C12 167.6(19) . . . . ?
C10 O1 C11A C12A -165.4(6) . . . . ?
C10 C1 C2 C3 -0.3(3) . . . . ?
C10 C1 C2 C7 -179.35(15) . . . . ?
C10 C13 C14 F1 55.71(19) . . . . ?
C10 C13 C14 F2 170.26(14) . . . . ?
C10 C13 C14 C15 -71.21(19) . . . . ?
C13 C14 C15 O2 -55.7(2) . . . . ?
C13 C14 C15 N2 126.55(15) . . . . ?
C15 N2 C16 C17 -31.5(2) . . . . ?
C15 N2 C16 C21 153.33(16) . . . . ?
C16 N2 C15 O2 -2.9(3) . . . . ?
C16 N2 C15 C14 174.66(14) . . . . ?
C16 C17 C18 C19 -0.7(3) . . . . ?
C17 C16 C21 C20 0.7(3) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C18 C19 C20 C21 0.0(3) . . . . ?
C19 C20 C21 C16 -0.7(3) . . . . ?
C21 C16 C17 C18 0.0(3) . . . . ?
C11A O1 C10 C1 67.9(5) . . . . ?
C11A O1 C10 C13 -167.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
