# Supplementary Information (SI) for Green Chemistry.
# 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. 
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data_cxy5046_0m
_database_code_depnum_ccdc_archive 'CCDC 2366793'
loop_
_audit_author_name
_audit_author_address
'Lou Shi'
;Kunming University
China
;
_audit_update_record             
;
2024-06-30 deposited with the CCDC.	2024-09-17 downloaded from the CCDC.
;
_audit_creation_date             2022-11-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H18 F N O3'
_chemical_formula_sum            'C21 H18 F N O3'
_chemical_formula_weight         351.36
_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 0.0137 0.0067 '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'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 '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                   12.5984(6)
_cell_length_b                   10.5934(5)
_cell_length_c                   13.2326(6)
_cell_angle_alpha                90
_cell_angle_beta                 108.318(2)
_cell_angle_gamma                90
_cell_volume                     1676.53(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      56.98
_cell_measurement_theta_min      3.68
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.529
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.7109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0729 before and 0.0536 after correction.
The Ratio of minimum to maximum transmission is 0.9464.
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    1.392
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35685
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.116
_diffrn_reflns_theta_min         3.677
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON III area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'microfocus Metaljet'
_diffrn_source_current           3.0
_diffrn_source_power             0.20955
_diffrn_source_type              'Incoatec Metaljet'
_diffrn_source_voltage           69.85
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3134
_reflns_number_total             3434
_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       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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 2014'
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.0062(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0329
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0384P)²+0.7591P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0832
_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 Ternary CH refined with riding coordinates:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C12(H12), C13(H13), C17(H17), C18(H18), C19(H19),
 C20(H20)
2.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C21(H21A,H21B,H21C)
;
_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 0.81652(6) 0.32090(8) 0.83386(6) 0.0304(2) Uani 1 1 d . . . . .
O1 O 0.91423(7) 0.72011(8) 0.11707(6) 0.02015(19) Uani 1 1 d . . . . .
O2 O 0.67438(6) 0.53327(7) 0.01738(6) 0.01802(19) Uani 1 1 d . . . . .
O3 O 0.93540(8) 0.64351(8) -0.03365(7) 0.0246(2) Uani 1 1 d . . . . .
N1 N 0.75471(7) 0.54139(9) 0.19693(7) 0.0148(2) Uani 1 1 d . . . . .
C1 C 0.82458(10) 0.36228(12) 0.73877(9) 0.0218(3) Uani 1 1 d . . . . .
C2 C 0.83632(10) 0.27420(11) 0.66644(9) 0.0212(3) Uani 1 1 d . . . . .
H2 H 0.839565 0.186555 0.682331 0.025 Uiso 1 1 calc R U . . .
C3 C 0.84326(9) 0.31726(11) 0.56969(9) 0.0183(2) Uani 1 1 d . . . . .
H3 H 0.851400 0.258126 0.518656 0.022 Uiso 1 1 calc R U . . .
C4 C 0.83847(9) 0.44634(11) 0.54595(9) 0.0162(2) Uani 1 1 d . . . . .
C5 C 0.84442(9) 0.48774(10) 0.44235(9) 0.0155(2) Uani 1 1 d . . . . .
C6 C 0.87411(9) 0.43150(11) 0.36424(9) 0.0173(2) Uani 1 1 d . . . . .
H6 H 0.899339 0.348745 0.356143 0.021 Uiso 1 1 calc R U . . .
C7 C 0.85294(9) 0.54716(10) 0.29393(8) 0.0154(2) Uani 1 1 d . . . . .
H7 H 0.921371 0.585183 0.283436 0.018 Uiso 1 1 calc R U . . .
C8 C 0.75785(9) 0.52714(10) 0.09588(8) 0.0144(2) Uani 1 1 d . . . . .
C9 C 0.87103(9) 0.50578(10) 0.08030(9) 0.0166(2) Uani 1 1 d . . . . .
H9A H 0.925541 0.476087 0.147648 0.020 Uiso 1 1 calc R U . . .
H9B H 0.864542 0.440391 0.025222 0.020 Uiso 1 1 calc R U . . .
C10 C 0.91098(9) 0.62864(11) 0.04616(9) 0.0163(2) Uani 1 1 d . . . . .
C11 C 0.94849(10) 0.84373(11) 0.09234(10) 0.0234(3) Uani 1 1 d . . . . .
H11A H 1.025283 0.839396 0.089709 0.035 Uiso 1 1 calc R U . . .
H11B H 0.944942 0.903893 0.147446 0.035 Uiso 1 1 calc R U . . .
H11C H 0.898441 0.871567 0.023123 0.035 Uiso 1 1 calc R U . . .
C12 C 0.82089(10) 0.49045(12) 0.72013(9) 0.0233(3) Uani 1 1 d . . . . .
H12 H 0.814260 0.548656 0.772428 0.028 Uiso 1 1 calc R U . . .
C13 C 0.82716(10) 0.53213(11) 0.62226(9) 0.0201(2) Uani 1 1 d . . . . .
H13 H 0.823698 0.619988 0.607183 0.024 Uiso 1 1 calc R U . . .
C14 C 0.81210(9) 0.61322(10) 0.38148(8) 0.0151(2) Uani 1 1 d . . . . .
C15 C 0.68768(9) 0.62374(10) 0.32750(9) 0.0150(2) Uani 1 1 d . . . . .
C16 C 0.65743(9) 0.57646(10) 0.22344(9) 0.0148(2) Uani 1 1 d . . . . .
C17 C 0.54617(9) 0.56695(11) 0.16082(9) 0.0165(2) Uani 1 1 d . . . . .
H17 H 0.526064 0.531711 0.091336 0.020 Uiso 1 1 calc R U . . .
C18 C 0.46501(9) 0.61102(11) 0.20364(9) 0.0182(2) Uani 1 1 d . . . . .
H18 H 0.388334 0.605289 0.162518 0.022 Uiso 1 1 calc R U . . .
C19 C 0.49387(10) 0.66309(11) 0.30505(9) 0.0189(2) Uani 1 1 d . . . . .
H19 H 0.437301 0.694761 0.331686 0.023 Uiso 1 1 calc R U . . .
C20 C 0.60592(10) 0.66892(10) 0.36787(9) 0.0173(2) Uani 1 1 d . . . . .
H20 H 0.625914 0.703494 0.437585 0.021 Uiso 1 1 calc R U . . .
C21 C 0.86942(10) 0.73522(11) 0.42948(9) 0.0194(2) Uani 1 1 d . . . . .
H21A H 0.862634 0.797102 0.372750 0.029 Uiso 1 1 calc R U . . .
H21B H 0.948660 0.718701 0.466619 0.029 Uiso 1 1 calc R U . . .
H21C H 0.833938 0.768559 0.480057 0.029 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 C1 1.3661(13) . ?
O1 C10 1.3405(14) . ?
O1 C11 1.4482(14) . ?
O2 C8 1.2257(13) . ?
O3 C10 1.1996(14) . ?
N1 C7 1.4779(14) . ?
N1 C8 1.3586(14) . ?
N1 C16 1.4259(14) . ?
C1 C2 1.3775(18) . ?
C1 C12 1.3781(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.3875(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.4001(16) . ?
C4 C5 1.4635(15) . ?
C4 C13 1.3987(16) . ?
C5 C6 1.3440(16) . ?
C5 C14 1.5412(15) . ?
C6 H6 0.9500 . ?
C6 C7 1.5106(15) . ?
C7 H7 1.0000 . ?
C7 C14 1.5721(14) . ?
C8 C9 1.5205(15) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5146(15) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.3938(16) . ?
C13 H13 0.9500 . ?
C14 C15 1.5086(15) . ?
C14 C21 1.5188(15) . ?
C15 C16 1.4009(15) . ?
C15 C20 1.3861(16) . ?
C16 C17 1.3898(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.3959(16) . ?
C18 H18 0.9500 . ?
C18 C19 1.3895(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.3964(16) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?

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 116.18(9) . . ?
C8 N1 C7 125.73(9) . . ?
C8 N1 C16 124.34(9) . . ?
C16 N1 C7 108.99(8) . . ?
F1 C1 C2 118.55(11) . . ?
F1 C1 C12 118.22(11) . . ?
C2 C1 C12 123.23(11) . . ?
C1 C2 H2 121.0 . . ?
C1 C2 C3 118.04(11) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.15(11) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C5 119.44(10) . . ?
C13 C4 C3 118.66(10) . . ?
C13 C4 C5 121.90(10) . . ?
C4 C5 C14 131.69(10) . . ?
C6 C5 C4 134.12(11) . . ?
C6 C5 C14 94.13(9) . . ?
C5 C6 H6 132.8 . . ?
C5 C6 C7 94.37(9) . . ?
C7 C6 H6 132.8 . . ?
N1 C7 C6 116.03(9) . . ?
N1 C7 H7 114.8 . . ?
N1 C7 C14 106.24(8) . . ?
C6 C7 H7 114.8 . . ?
C6 C7 C14 86.70(8) . . ?
C14 C7 H7 114.8 . . ?
O2 C8 N1 123.07(10) . . ?
O2 C8 C9 118.96(9) . . ?
N1 C8 C9 117.95(9) . . ?
C8 C9 H9A 109.9 . . ?
C8 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C10 C9 C8 109.04(9) . . ?
C10 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
O1 C10 C9 110.63(9) . . ?
O3 C10 O1 124.15(11) . . ?
O3 C10 C9 125.22(10) . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C1 C12 H12 121.0 . . ?
C1 C12 C13 118.02(11) . . ?
C13 C12 H12 121.0 . . ?
C4 C13 H13 119.6 . . ?
C12 C13 C4 120.89(11) . . ?
C12 C13 H13 119.6 . . ?
C5 C14 C7 84.68(8) . . ?
C15 C14 C5 112.07(9) . . ?
C15 C14 C7 102.47(8) . . ?
C15 C14 C21 114.95(9) . . ?
C21 C14 C5 120.17(9) . . ?
C21 C14 C7 117.66(9) . . ?
C16 C15 C14 111.11(9) . . ?
C20 C15 C14 129.08(10) . . ?
C20 C15 C16 119.79(10) . . ?
C15 C16 N1 110.22(9) . . ?
C17 C16 N1 128.19(10) . . ?
C17 C16 C15 121.58(10) . . ?
C16 C17 H17 121.2 . . ?
C16 C17 C18 117.64(10) . . ?
C18 C17 H17 121.2 . . ?
C17 C18 H18 119.3 . . ?
C19 C18 C17 121.47(10) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.08(10) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 C19 119.34(10) . . ?
C15 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C14 C21 H21A 109.5 . . ?
C14 C21 H21B 109.5 . . ?
C14 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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 C1 C2 C3 179.34(10) . . . . ?
F1 C1 C12 C13 -178.89(10) . . . . ?
O2 C8 C9 C10 77.48(12) . . . . ?
N1 C7 C14 C5 118.47(9) . . . . ?
N1 C7 C14 C15 7.01(11) . . . . ?
N1 C7 C14 C21 -120.13(10) . . . . ?
N1 C8 C9 C10 -101.07(11) . . . . ?
N1 C16 C17 C18 -178.31(10) . . . . ?
C1 C2 C3 C4 -0.02(17) . . . . ?
C1 C12 C13 C4 -0.90(18) . . . . ?
C2 C1 C12 C13 1.31(19) . . . . ?
C2 C3 C4 C5 -179.09(10) . . . . ?
C2 C3 C4 C13 0.38(17) . . . . ?
C3 C4 C5 C6 -14.47(19) . . . . ?
C3 C4 C5 C14 161.96(11) . . . . ?
C3 C4 C13 C12 0.09(17) . . . . ?
C4 C5 C6 C7 -179.99(12) . . . . ?
C4 C5 C14 C7 179.98(12) . . . . ?
C4 C5 C14 C15 -78.69(14) . . . . ?
C4 C5 C14 C21 60.96(16) . . . . ?
C5 C4 C13 C12 179.55(11) . . . . ?
C5 C6 C7 N1 -109.11(10) . . . . ?
C5 C6 C7 C14 -2.63(9) . . . . ?
C5 C14 C15 C16 -91.03(11) . . . . ?
C5 C14 C15 C20 87.27(14) . . . . ?
C6 C5 C14 C7 -2.59(8) . . . . ?
C6 C5 C14 C15 98.74(10) . . . . ?
C6 C5 C14 C21 -121.61(11) . . . . ?
C6 C7 C14 C5 2.30(8) . . . . ?
C6 C7 C14 C15 -109.16(9) . . . . ?
C6 C7 C14 C21 123.70(10) . . . . ?
C7 N1 C8 O2 -173.83(10) . . . . ?
C7 N1 C8 C9 4.66(15) . . . . ?
C7 N1 C16 C15 9.23(12) . . . . ?
C7 N1 C16 C17 -170.02(11) . . . . ?
C7 C14 C15 C16 -1.76(11) . . . . ?
C7 C14 C15 C20 176.54(11) . . . . ?
C8 N1 C7 C6 -106.38(12) . . . . ?
C8 N1 C7 C14 159.29(10) . . . . ?
C8 N1 C16 C15 -160.25(10) . . . . ?
C8 N1 C16 C17 20.50(17) . . . . ?
C8 C9 C10 O1 56.07(12) . . . . ?
C8 C9 C10 O3 -123.18(12) . . . . ?
C11 O1 C10 O3 0.77(16) . . . . ?
C11 O1 C10 C9 -178.49(9) . . . . ?
C12 C1 C2 C3 -0.86(18) . . . . ?
C13 C4 C5 C6 166.07(12) . . . . ?
C13 C4 C5 C14 -17.50(18) . . . . ?
C14 C5 C6 C7 2.69(9) . . . . ?
C14 C15 C16 N1 -4.46(12) . . . . ?
C14 C15 C16 C17 174.84(10) . . . . ?
C14 C15 C20 C19 -176.26(11) . . . . ?
C15 C16 C17 C18 2.52(16) . . . . ?
C16 N1 C7 C6 84.33(11) . . . . ?
C16 N1 C7 C14 -10.01(11) . . . . ?
C16 N1 C8 O2 -6.11(17) . . . . ?
C16 N1 C8 C9 172.38(9) . . . . ?
C16 C15 C20 C19 1.91(16) . . . . ?
C16 C17 C18 C19 0.24(17) . . . . ?
C17 C18 C19 C20 -1.88(17) . . . . ?
C18 C19 C20 C15 0.78(17) . . . . ?
C20 C15 C16 N1 177.06(10) . . . . ?
C20 C15 C16 C17 -3.64(17) . . . . ?
C21 C14 C15 C16 127.09(10) . . . . ?
C21 C14 C15 C20 -54.61(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
