# Supplementary Information (SI) for RSC Medicinal Chemistry.
# 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_mo_20240527_wq_hfu_2024_0227_2
_database_code_depnum_ccdc_archive 'CCDC 2385734'
loop_
_audit_author_name
_audit_author_address
'Ban-Feng Ruan'
;Hefei  University
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_date             2024-05-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H25 F2 N3 O, H2 O'
_chemical_formula_sum            'C23 H27 F2 N3 O2'
_chemical_formula_weight         415.47
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1699(13)
_cell_length_b                   10.430(2)
_cell_length_c                   15.039(3)
_cell_angle_alpha                80.809(8)
_cell_angle_beta                 89.290(7)
_cell_angle_gamma                78.757(8)
_cell_volume                     1088.7(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4041
_cell_measurement_temperature    223.00
_cell_measurement_theta_max      26.890
_cell_measurement_theta_min      2.615
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.988
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1038 before and 0.0711 after correction.
The Ratio of minimum to maximum transmission is 0.9218.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28915
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.475
_diffrn_reflns_theta_min         2.017
_diffrn_ambient_temperature      223.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_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                3532
_reflns_number_total             4943
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.266
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4943
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0479
_refine_ls_restrained_S_all      1.035
_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)+(0.0525P)²+0.4167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1373
_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, All O(H,H) groups
2.a Free rotating group:
 O2(H2A,H2B)
2.b Ternary CH refined with riding coordinates:
 C18(H18)
2.c Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C20(H20A,H20B), C22(H22A,H22B), C23(H23A,H23B)
2.d Aromatic/amide H refined with riding coordinates:
 N3(H3), C3(H3A), C7(H7), C12(H12), C13(H13), C15(H15), C16(H16)
2.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.88959(19) -0.18441(12) 0.27240(9) 0.0630(4) Uani 1 1 d . . . . .
F2 F 0.70298(19) -0.11401(12) 0.15388(8) 0.0564(3) Uani 1 1 d . . . . .
O1 O 0.92079(18) 0.19943(16) 0.45166(10) 0.0549(4) Uani 1 1 d . . . . .
N1 N 0.6189(2) 0.59823(15) 0.78801(10) 0.0368(3) Uani 1 1 d . . . . .
N2 N 0.3525(2) 0.52116(14) 0.82737(10) 0.0351(3) Uani 1 1 d . . . . .
N3 N 0.6009(2) 0.24034(15) 0.47081(9) 0.0351(3) Uani 1 1 d . . . . .
H3 H 0.494930 0.227145 0.449769 0.042 Uiso 1 1 calc R U . . .
C1 C 0.2196(4) 0.7730(2) 1.08845(14) 0.0594(6) Uani 1 1 d . . . . .
H1A H 0.136541 0.857417 1.067369 0.089 Uiso 1 1 calc R U . . .
H1B H 0.305708 0.783568 1.134785 0.089 Uiso 1 1 calc R U . . .
H1C H 0.143625 0.708776 1.113134 0.089 Uiso 1 1 calc R U . . .
C2 C 0.3331(3) 0.72510(18) 1.01053(12) 0.0408(4) Uani 1 1 d . . . . .
C3 C 0.2728(3) 0.63602(17) 0.96344(12) 0.0378(4) Uani 1 1 d . . . . .
H3A H 0.164981 0.600067 0.980816 0.045 Uiso 1 1 calc R U . . .
C4 C 0.3785(2) 0.60202(16) 0.88936(11) 0.0338(4) Uani 1 1 d . . . . .
C5 C 0.5436(2) 0.64973(17) 0.86387(11) 0.0335(4) Uani 1 1 d . . . . .
C6 C 0.6066(3) 0.73912(18) 0.91198(12) 0.0392(4) Uani 1 1 d . . . . .
C7 C 0.4972(3) 0.77456(19) 0.98428(12) 0.0422(4) Uani 1 1 d . . . . .
H7 H 0.535035 0.834752 1.017295 0.051 Uiso 1 1 calc R U . . .
C8 C 0.7803(3) 0.7956(2) 0.88498(15) 0.0549(5) Uani 1 1 d . . . . .
H8A H 0.886425 0.724087 0.879065 0.082 Uiso 1 1 calc R U . . .
H8B H 0.810980 0.844541 0.930660 0.082 Uiso 1 1 calc R U . . .
H8C H 0.755595 0.854468 0.827805 0.082 Uiso 1 1 calc R U . . .
C9 C 0.2035(3) 0.44244(19) 0.83349(14) 0.0457(5) Uani 1 1 d . . . . .
H9A H 0.191539 0.403104 0.895725 0.069 Uiso 1 1 calc R U . . .
H9B H 0.236655 0.372965 0.796919 0.069 Uiso 1 1 calc R U . . .
H9C H 0.083641 0.499036 0.811874 0.069 Uiso 1 1 calc R U . . .
C10 C 0.5004(2) 0.52305(17) 0.76805(11) 0.0346(4) Uani 1 1 d . . . . .
C11 C 0.5239(2) 0.44953(17) 0.69119(11) 0.0346(4) Uani 1 1 d . . . . .
C12 C 0.3720(3) 0.44282(17) 0.63552(12) 0.0364(4) Uani 1 1 d . . . . .
H12 H 0.248268 0.485406 0.647378 0.044 Uiso 1 1 calc R U . . .
C13 C 0.4014(2) 0.37431(17) 0.56323(12) 0.0349(4) Uani 1 1 d . . . . .
H13 H 0.297835 0.370988 0.526548 0.042 Uiso 1 1 calc R U . . .
C14 C 0.5838(2) 0.31027(16) 0.54458(11) 0.0325(4) Uani 1 1 d . . . . .
C15 C 0.7373(3) 0.31763(19) 0.59887(12) 0.0386(4) Uani 1 1 d . . . . .
H15 H 0.861180 0.275740 0.586645 0.046 Uiso 1 1 calc R U . . .
C16 C 0.7060(3) 0.38697(18) 0.67077(12) 0.0387(4) Uani 1 1 d . . . . .
H16 H 0.809982 0.391930 0.706636 0.046 Uiso 1 1 calc R U . . .
C17 C 0.7607(2) 0.19116(17) 0.42857(11) 0.0352(4) Uani 1 1 d . . . . .
C18 C 0.7222(2) 0.12623(17) 0.34812(11) 0.0334(4) Uani 1 1 d . . . . .
H18 H 0.624631 0.189868 0.309007 0.040 Uiso 1 1 calc R U . . .
C19 C 0.6438(3) -0.00123(19) 0.37667(12) 0.0417(4) Uani 1 1 d . . . . .
H19A H 0.739849 -0.068187 0.413001 0.050 Uiso 1 1 calc R U . . .
H19B H 0.530908 0.017408 0.413422 0.050 Uiso 1 1 calc R U . . .
C20 C 0.5916(3) -0.05394(19) 0.29246(13) 0.0440(4) Uani 1 1 d . . . . .
H20A H 0.548227 -0.137603 0.310738 0.053 Uiso 1 1 calc R U . . .
H20B H 0.486882 0.009690 0.259417 0.053 Uiso 1 1 calc R U . . .
C21 C 0.7584(3) -0.07581(18) 0.23220(12) 0.0402(4) Uani 1 1 d . . . . .
C22 C 0.8526(3) 0.0411(2) 0.20817(13) 0.0445(5) Uani 1 1 d . . . . .
H22A H 0.768270 0.110696 0.167628 0.053 Uiso 1 1 calc R U . . .
H22B H 0.970223 0.014736 0.176192 0.053 Uiso 1 1 calc R U . . .
C23 C 0.8991(3) 0.0963(2) 0.29246(13) 0.0451(5) Uani 1 1 d . . . . .
H23A H 0.997254 0.031439 0.329010 0.054 Uiso 1 1 calc R U . . .
H23B H 0.948906 0.177417 0.274239 0.054 Uiso 1 1 calc R U . . .
O2 O 1.2611(2) 0.2479(2) 0.37326(11) 0.0674(5) Uani 1 1 d G . . . .
H2A H 1.145038 0.244965 0.387042 0.101 Uiso 1 1 d G U . . .
H2B H 1.252749 0.304001 0.324241 0.101 Uiso 1 1 d G 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 1.383(2) . ?
F2 C21 1.388(2) . ?
O1 C17 1.226(2) . ?
N1 C5 1.396(2) . ?
N1 C10 1.329(2) . ?
N2 C4 1.390(2) . ?
N2 C9 1.462(2) . ?
N2 C10 1.379(2) . ?
N3 H3 0.8700 . ?
N3 C14 1.414(2) . ?
N3 C17 1.355(2) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C1 C2 1.513(3) . ?
C2 C3 1.388(3) . ?
C2 C7 1.402(3) . ?
C3 H3A 0.9400 . ?
C3 C4 1.393(2) . ?
C4 C5 1.397(2) . ?
C5 C6 1.409(2) . ?
C6 C7 1.389(3) . ?
C6 C8 1.503(3) . ?
C7 H7 0.9400 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 C11 1.477(2) . ?
C11 C12 1.401(3) . ?
C11 C16 1.395(2) . ?
C12 H12 0.9400 . ?
C12 C13 1.386(2) . ?
C13 H13 0.9400 . ?
C13 C14 1.395(2) . ?
C14 C15 1.400(2) . ?
C15 H15 0.9400 . ?
C15 C16 1.387(2) . ?
C16 H16 0.9400 . ?
C17 C18 1.530(2) . ?
C18 H18 0.9900 . ?
C18 C19 1.540(2) . ?
C18 C23 1.520(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 C20 1.536(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 C21 1.496(3) . ?
C21 C22 1.499(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 C23 1.538(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
O2 H2A 0.8602 . ?
O2 H2B 0.8597 . ?

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 N1 C5 105.31(14) . . ?
C4 N2 C9 123.90(14) . . ?
C10 N2 C4 106.64(14) . . ?
C10 N2 C9 129.22(14) . . ?
C14 N3 H3 115.8 . . ?
C17 N3 H3 115.8 . . ?
C17 N3 C14 128.49(15) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C3 C2 C1 120.51(19) . . ?
C3 C2 C7 120.00(16) . . ?
C7 C2 C1 119.47(18) . . ?
C2 C3 H3A 121.3 . . ?
C2 C3 C4 117.34(17) . . ?
C4 C3 H3A 121.3 . . ?
N2 C4 C3 131.41(17) . . ?
N2 C4 C5 105.88(14) . . ?
C3 C4 C5 122.72(16) . . ?
N1 C5 C4 109.79(15) . . ?
N1 C5 C6 130.02(16) . . ?
C4 C5 C6 120.17(15) . . ?
C5 C6 C8 121.69(17) . . ?
C7 C6 C5 116.42(17) . . ?
C7 C6 C8 121.87(17) . . ?
C2 C7 H7 118.3 . . ?
C6 C7 C2 123.32(17) . . ?
C6 C7 H7 118.3 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 N2 112.38(14) . . ?
N1 C10 C11 124.06(15) . . ?
N2 C10 C11 123.56(15) . . ?
C12 C11 C10 123.03(15) . . ?
C16 C11 C10 118.96(16) . . ?
C16 C11 C12 117.98(15) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.96(16) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.41(16) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 N3 116.80(15) . . ?
C13 C14 C15 119.25(15) . . ?
C15 C14 N3 123.94(15) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.74(16) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 H16 119.2 . . ?
C15 C16 C11 121.63(17) . . ?
C15 C16 H16 119.2 . . ?
O1 C17 N3 123.35(15) . . ?
O1 C17 C18 123.09(15) . . ?
N3 C17 C18 113.56(15) . . ?
C17 C18 H18 107.7 . . ?
C17 C18 C19 112.44(14) . . ?
C19 C18 H18 107.7 . . ?
C23 C18 C17 111.66(14) . . ?
C23 C18 H18 107.7 . . ?
C23 C18 C19 109.53(15) . . ?
C18 C19 H19A 109.8 . . ?
C18 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C20 C19 C18 109.59(14) . . ?
C20 C19 H19A 109.8 . . ?
C20 C19 H19B 109.8 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C21 C20 C19 111.02(15) . . ?
C21 C20 H20A 109.4 . . ?
C21 C20 H20B 109.4 . . ?
F1 C21 F2 103.92(14) . . ?
F1 C21 C20 108.89(16) . . ?
F1 C21 C22 109.93(16) . . ?
F2 C21 C20 109.54(15) . . ?
F2 C21 C22 109.37(15) . . ?
C20 C21 C22 114.64(15) . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C21 C22 C23 111.53(15) . . ?
H22A C22 H22B 108.0 . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C18 C23 C22 110.53(15) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
H2A O2 H2B 104.5 . . ?

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 C22 C23 -72.2(2) . . . . ?
F2 C21 C22 C23 174.33(16) . . . . ?
O1 C17 C18 C19 113.7(2) . . . . ?
O1 C17 C18 C23 -9.9(3) . . . . ?
N1 C5 C6 C7 178.43(17) . . . . ?
N1 C5 C6 C8 -0.1(3) . . . . ?
N1 C10 C11 C12 -138.02(19) . . . . ?
N1 C10 C11 C16 39.9(3) . . . . ?
N2 C4 C5 N1 -0.53(19) . . . . ?
N2 C4 C5 C6 177.94(15) . . . . ?
N2 C10 C11 C12 42.0(3) . . . . ?
N2 C10 C11 C16 -140.03(18) . . . . ?
N3 C14 C15 C16 -178.94(16) . . . . ?
N3 C17 C18 C19 -67.3(2) . . . . ?
N3 C17 C18 C23 169.16(16) . . . . ?
C1 C2 C3 C4 176.47(17) . . . . ?
C1 C2 C7 C6 -178.03(19) . . . . ?
C2 C3 C4 N2 -177.31(17) . . . . ?
C2 C3 C4 C5 2.5(3) . . . . ?
C3 C2 C7 C6 0.0(3) . . . . ?
C3 C4 C5 N1 179.59(16) . . . . ?
C3 C4 C5 C6 -1.9(3) . . . . ?
C4 N2 C10 N1 0.4(2) . . . . ?
C4 N2 C10 C11 -179.66(16) . . . . ?
C4 C5 C6 C7 0.3(3) . . . . ?
C4 C5 C6 C8 -178.23(18) . . . . ?
C5 N1 C10 N2 -0.7(2) . . . . ?
C5 N1 C10 C11 179.35(16) . . . . ?
C5 C6 C7 C2 0.6(3) . . . . ?
C7 C2 C3 C4 -1.5(3) . . . . ?
C8 C6 C7 C2 179.17(19) . . . . ?
C9 N2 C4 C3 -5.2(3) . . . . ?
C9 N2 C4 C5 174.92(16) . . . . ?
C9 N2 C10 N1 -174.06(17) . . . . ?
C9 N2 C10 C11 5.9(3) . . . . ?
C10 N1 C5 C4 0.76(19) . . . . ?
C10 N1 C5 C6 -177.51(18) . . . . ?
C10 N2 C4 C3 179.96(18) . . . . ?
C10 N2 C4 C5 0.10(19) . . . . ?
C10 C11 C12 C13 178.95(16) . . . . ?
C10 C11 C16 C15 -179.31(17) . . . . ?
C11 C12 C13 C14 0.1(3) . . . . ?
C12 C11 C16 C15 -1.3(3) . . . . ?
C12 C13 C14 N3 178.70(15) . . . . ?
C12 C13 C14 C15 -1.0(3) . . . . ?
C13 C14 C15 C16 0.7(3) . . . . ?
C14 N3 C17 O1 1.6(3) . . . . ?
C14 N3 C17 C18 -177.42(15) . . . . ?
C14 C15 C16 C11 0.4(3) . . . . ?
C16 C11 C12 C13 1.0(3) . . . . ?
C17 N3 C14 C13 166.75(17) . . . . ?
C17 N3 C14 C15 -13.6(3) . . . . ?
C17 C18 C19 C20 174.90(15) . . . . ?
C17 C18 C23 C22 -175.62(16) . . . . ?
C18 C19 C20 C21 56.1(2) . . . . ?
C19 C18 C23 C22 59.2(2) . . . . ?
C19 C20 C21 F1 71.31(19) . . . . ?
C19 C20 C21 F2 -175.65(15) . . . . ?
C19 C20 C21 C22 -52.3(2) . . . . ?
C20 C21 C22 C23 50.9(2) . . . . ?
C21 C22 C23 C18 -53.8(2) . . . . ?
C23 C18 C19 C20 -60.3(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_cu_20240527_wq_hfu_20240313_2_
_database_code_depnum_ccdc_archive 'CCDC 2385735'
loop_
_audit_author_name
_audit_author_address
'Ban-Feng Ruan'
;Hefei University
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2025-02-21 downloaded from the CCDC.
;
_audit_creation_date             2024-05-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H15 N3 O2'
_chemical_formula_sum            'C16 H15 N3 O2'
_chemical_formula_weight         281.31
_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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   7.1923(7)
_cell_length_b                   12.7507(11)
_cell_length_c                   15.1600(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1390.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4820
_cell_measurement_temperature    223.00
_cell_measurement_theta_max      68.157
_cell_measurement_theta_min      4.532
_shelx_estimated_absorpt_T_max   0.930
_shelx_estimated_absorpt_T_min   0.910
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1467 before and 0.0720 after correction.
The Ratio of minimum to maximum transmission is 0.8743.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9310
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.350
_diffrn_reflns_theta_min         4.531
_diffrn_ambient_temperature      223.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.674
_reflns_Friedel_fraction_full    0.929
_reflns_Friedel_fraction_max     0.920
_reflns_number_gt                2232
_reflns_number_total             2441
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.154
_refine_diff_density_min         -0.110
_refine_diff_density_rms         0.034
_refine_ls_abs_structure_details 
;
 Flack x determined using 835 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.19(12)
_refine_ls_extinction_coef       0.0024(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         2441
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.059
_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)+(0.0505P)²+0.0794P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0842
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C10(H10), C12(H12)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_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
O1 O 0.3165(3) -0.16095(16) 0.34550(15) 0.0734(6) Uani 1 1 d . . . . .
O2 O 0.3820(3) -0.07102(17) 0.22812(15) 0.0732(6) Uani 1 1 d . . . . .
N1 N 0.3771(2) 0.31939(13) 0.59115(10) 0.0293(4) Uani 1 1 d . . . . .
N2 N 0.3109(2) 0.39151(13) 0.45920(11) 0.0330(4) Uani 1 1 d . . . . .
N3 N 0.3510(3) -0.07787(18) 0.30807(16) 0.0554(6) Uani 1 1 d . . . . .
C1 C 0.3558(3) 0.01917(18) 0.36007(16) 0.0414(6) Uani 1 1 d . . . . .
C2 C 0.2934(3) 0.01681(18) 0.44645(17) 0.0439(6) Uani 1 1 d . . . . .
H2 H 0.250805 -0.046025 0.471811 0.053 Uiso 1 1 calc R U . . .
C3 C 0.2952(3) 0.10898(17) 0.49462(15) 0.0380(5) Uani 1 1 d . . . . .
H3 H 0.253204 0.108928 0.553345 0.046 Uiso 1 1 calc R U . . .
C4 C 0.3588(3) 0.20211(16) 0.45663(14) 0.0314(5) Uani 1 1 d . . . . .
C5 C 0.4204(3) 0.20136(19) 0.36935(13) 0.0355(5) Uani 1 1 d . . . . .
H5 H 0.463155 0.263799 0.343384 0.043 Uiso 1 1 calc R U . . .
C6 C 0.4190(3) 0.10993(19) 0.32085(15) 0.0407(6) Uani 1 1 d . . . . .
H6 H 0.460522 0.109489 0.262054 0.049 Uiso 1 1 calc R U . . .
C7 C 0.3504(3) 0.30418(16) 0.50215(12) 0.0297(4) Uani 1 1 d . . . . .
C8 C 0.3509(3) 0.42547(16) 0.60587(13) 0.0300(4) Uani 1 1 d . . . . .
C9 C 0.3110(3) 0.46862(16) 0.52311(12) 0.0312(5) Uani 1 1 d . . . . .
C10 C 0.2765(3) 0.57614(17) 0.51360(14) 0.0405(5) Uani 1 1 d . . . . .
H10 H 0.250735 0.604873 0.457828 0.049 Uiso 1 1 calc R U . . .
C11 C 0.2811(3) 0.63904(17) 0.58749(14) 0.0420(6) Uani 1 1 d . . . . .
C12 C 0.3176(3) 0.59302(18) 0.67001(14) 0.0410(6) Uani 1 1 d . . . . .
H12 H 0.317579 0.637001 0.719775 0.049 Uiso 1 1 calc R U . . .
C13 C 0.3536(3) 0.48742(18) 0.68311(13) 0.0349(5) Uani 1 1 d . . . . .
C14 C 0.4496(3) 0.24313(18) 0.65409(14) 0.0372(5) Uani 1 1 d . . . . .
H14A H 0.348269 0.215584 0.689381 0.056 Uiso 1 1 calc R U . . .
H14B H 0.539684 0.276927 0.692293 0.056 Uiso 1 1 calc R U . . .
H14C H 0.509117 0.186172 0.622433 0.056 Uiso 1 1 calc R U . . .
C15 C 0.3880(4) 0.4467(2) 0.77487(14) 0.0504(6) Uani 1 1 d . . . . .
H15A H 0.317519 0.382764 0.783826 0.076 Uiso 1 1 calc R U . . .
H15B H 0.349251 0.498954 0.817598 0.076 Uiso 1 1 calc R U . . .
H15C H 0.519503 0.432248 0.782307 0.076 Uiso 1 1 calc R U . . .
C16 C 0.2451(5) 0.75572(19) 0.5804(2) 0.0637(8) Uani 1 1 d . . . . .
H16A H 0.268528 0.778675 0.520418 0.096 Uiso 1 1 calc R U . . .
H16B H 0.326949 0.793000 0.620438 0.096 Uiso 1 1 calc R U . . .
H16C H 0.116759 0.770245 0.595800 0.096 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
O1 N3 1.227(3) . ?
O2 N3 1.236(3) . ?
N1 C7 1.377(2) . ?
N1 C8 1.384(3) . ?
N1 C14 1.459(3) . ?
N2 C7 1.321(3) . ?
N2 C9 1.380(3) . ?
N3 C1 1.467(3) . ?
C1 C2 1.385(3) . ?
C1 C6 1.378(3) . ?
C2 H2 0.9400 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9400 . ?
C3 C4 1.397(3) . ?
C4 C5 1.395(3) . ?
C4 C7 1.474(3) . ?
C5 H5 0.9400 . ?
C5 C6 1.378(3) . ?
C6 H6 0.9400 . ?
C8 C9 1.400(3) . ?
C8 C13 1.413(3) . ?
C9 C10 1.401(3) . ?
C10 H10 0.9400 . ?
C10 C11 1.378(3) . ?
C11 C12 1.407(3) . ?
C11 C16 1.514(3) . ?
C12 H12 0.9400 . ?
C12 C13 1.385(3) . ?
C13 C15 1.505(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?

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
C7 N1 C8 106.07(17) . . ?
C7 N1 C14 126.66(17) . . ?
C8 N1 C14 126.50(17) . . ?
C7 N2 C9 104.73(16) . . ?
O1 N3 O2 123.4(2) . . ?
O1 N3 C1 119.0(2) . . ?
O2 N3 C1 117.6(2) . . ?
C2 C1 N3 118.8(2) . . ?
C6 C1 N3 119.0(2) . . ?
C6 C1 C2 122.2(2) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 C1 118.5(2) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C7 122.96(19) . . ?
C5 C4 C3 119.3(2) . . ?
C5 C4 C7 117.6(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 118.8(2) . . ?
C1 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
N1 C7 C4 125.27(18) . . ?
N2 C7 N1 113.23(18) . . ?
N2 C7 C4 121.49(17) . . ?
N1 C8 C9 105.52(17) . . ?
N1 C8 C13 132.71(19) . . ?
C9 C8 C13 121.75(18) . . ?
N2 C9 C8 110.45(17) . . ?
N2 C9 C10 128.67(18) . . ?
C8 C9 C10 120.88(18) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.81(19) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 C12 119.0(2) . . ?
C10 C11 C16 120.7(2) . . ?
C12 C11 C16 120.3(2) . . ?
C11 C12 H12 117.7 . . ?
C13 C12 C11 124.60(19) . . ?
C13 C12 H12 117.7 . . ?
C8 C13 C15 125.1(2) . . ?
C12 C13 C8 114.96(18) . . ?
C12 C13 C15 119.88(19) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
O1 N3 C1 C2 -9.9(3) . . . . ?
O1 N3 C1 C6 171.3(2) . . . . ?
O2 N3 C1 C2 170.0(2) . . . . ?
O2 N3 C1 C6 -8.9(3) . . . . ?
N1 C8 C9 N2 0.5(2) . . . . ?
N1 C8 C9 C10 -180.0(2) . . . . ?
N1 C8 C13 C12 -179.2(2) . . . . ?
N1 C8 C13 C15 -0.4(3) . . . . ?
N2 C9 C10 C11 178.9(2) . . . . ?
N3 C1 C2 C3 -178.8(2) . . . . ?
N3 C1 C6 C5 178.87(19) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C2 C1 C6 C5 0.1(3) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C2 C3 C4 C7 175.07(19) . . . . ?
C3 C4 C5 C6 -0.1(3) . . . . ?
C3 C4 C7 N1 36.2(3) . . . . ?
C3 C4 C7 N2 -142.2(2) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
C5 C4 C7 N1 -148.77(19) . . . . ?
C5 C4 C7 N2 32.8(3) . . . . ?
C6 C1 C2 C3 -0.1(3) . . . . ?
C7 N1 C8 C9 -0.6(2) . . . . ?
C7 N1 C8 C13 177.7(2) . . . . ?
C7 N2 C9 C8 -0.3(2) . . . . ?
C7 N2 C9 C10 -179.7(2) . . . . ?
C7 C4 C5 C6 -175.30(18) . . . . ?
C8 N1 C7 N2 0.5(2) . . . . ?
C8 N1 C7 C4 -178.07(17) . . . . ?
C8 C9 C10 C11 -0.5(3) . . . . ?
C9 N2 C7 N1 -0.1(2) . . . . ?
C9 N2 C7 C4 178.47(18) . . . . ?
C9 C8 C13 C12 -1.1(3) . . . . ?
C9 C8 C13 C15 177.6(2) . . . . ?
C9 C10 C11 C12 -0.9(3) . . . . ?
C9 C10 C11 C16 179.9(2) . . . . ?
C10 C11 C12 C13 1.3(4) . . . . ?
C11 C12 C13 C8 -0.3(3) . . . . ?
C11 C12 C13 C15 -179.1(2) . . . . ?
C13 C8 C9 N2 -177.97(17) . . . . ?
C13 C8 C9 C10 1.5(3) . . . . ?
C14 N1 C7 N2 -169.92(18) . . . . ?
C14 N1 C7 C4 11.6(3) . . . . ?
C14 N1 C8 C9 169.82(18) . . . . ?
C14 N1 C8 C13 -11.9(3) . . . . ?
C16 C11 C12 C13 -179.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
