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

data_3aa_auto
_database_code_depnum_ccdc_archive 'CCDC 2314500'
loop_
_audit_author_name
_audit_author_address
'Xinying Zhang'
;Henan Normal University
China
;
_audit_update_record             
;
2023-12-15 deposited with the CCDC.	2024-02-01 downloaded from the CCDC.
;
_audit_creation_date             2023-03-13
_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         'C24 H14 F3 N'
_chemical_formula_sum            'C24 H14 F3 N'
_chemical_formula_weight         373.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1 F1'
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'
F F 0.0727 0.0534 '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'

_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.8004(3)
_cell_length_b                   7.5870(2)
_cell_length_c                   22.5090(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.210(2)
_cell_angle_gamma                90
_cell_volume                     1839.47(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3281
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.7090
_cell_measurement_theta_min      5.4710
_shelx_estimated_absorpt_T_max   0.921
_shelx_estimated_absorpt_T_min   0.851
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.2
_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  0.0225
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7021
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.459
_diffrn_reflns_theta_min         3.938
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -49.00  -1.00   1.00    1.00    --  -35.62  43.00-132.00   48
  2  ω   -104.00 -19.00   1.00    1.00    --  -35.62 -43.00  75.00   85
  3  ω     10.00  35.00   1.00    1.00    --   35.62 -43.00  75.00   25
  4  ω     46.00  99.00   1.00    1.00    --   35.62  43.00-132.00   53
  5  ω     38.00 122.00   1.00    3.55    --  107.12 -43.00  75.00   84
  6  ω     90.00 149.00   1.00    3.55    --  107.12  43.00-132.00   59
  7  ω     79.00 104.00   1.00    1.00    --   35.62 178.00-180.00   25
  8  ω    -18.00  29.00   1.00    1.00    --   35.62 -77.00-120.00   47
  9  ω    -31.00  52.00   1.00    1.00    --   35.62 -57.00 -30.00   83
 10  ω     39.00 105.00   1.00    3.55    --  107.12 -95.00  90.00   66
 11  ω     39.00 127.00   1.00    3.55    --  107.12 -30.00 -30.00   88
 12  ω     43.00  69.00   1.00    3.55    --  107.12 -95.00-120.00   26
 13  ω    125.00 172.00   1.00    3.55    --  107.12 111.00 -90.00   47
 14  ω     83.00 109.00   1.00    3.55    --  107.12-111.00-120.00   26
 15  ω     46.00  88.00   1.00    3.55    --  107.12 -61.00 -60.00   42
 16  ω    105.00 154.00   1.00    3.55    --  107.12  77.00 150.00   49
 17  ω     52.00  98.00   1.00    3.55    --  107.12-111.00  60.00   46
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1226168000
_diffrn_orient_matrix_UB_12      -0.0957228000
_diffrn_orient_matrix_UB_13      -0.0183185000
_diffrn_orient_matrix_UB_21      0.0125995000
_diffrn_orient_matrix_UB_22      0.0524501000
_diffrn_orient_matrix_UB_23      -0.0654720000
_diffrn_orient_matrix_UB_31      0.0725059000
_diffrn_orient_matrix_UB_32      -0.1711008000
_diffrn_orient_matrix_UB_33      -0.0096720000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2922
_reflns_number_total             3504
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_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         0.270
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3504
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0605
_refine_ls_restrained_S_all      1.042
_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)+(0.0942P)²+0.4384P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1699
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_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 0.87507(13) 0.4744(2) 0.56517(7) 0.0760(5) Uani 1 1 d . . . . .
F2 F 0.87006(15) 0.5654(3) 0.47697(7) 0.1031(8) Uani 1 1 d . . . . .
F3 F 0.91279(14) 0.7415(3) 0.54945(12) 0.1103(7) Uani 1 1 d . . . . .
N1 N 0.64815(15) 0.6855(2) 0.47988(7) 0.0444(4) Uani 1 1 d . . . . .
C1 C 0.52777(18) 0.7400(2) 0.47790(8) 0.0411(4) Uani 1 1 d . . . . .
C2 C 0.4673(2) 0.7765(3) 0.42139(9) 0.0534(5) Uani 1 1 d . . . . .
H2 H 0.508567 0.758452 0.387072 0.064 Uiso 1 1 calc R U . . .
C3 C 0.3488(2) 0.8380(3) 0.41726(10) 0.0601(6) Uani 1 1 d . . . . .
H3 H 0.309239 0.861524 0.380017 0.072 Uiso 1 1 calc R U . . .
C4 C 0.2858(2) 0.8663(3) 0.46867(10) 0.0568(5) Uani 1 1 d . . . . .
H4 H 0.205306 0.910418 0.465127 0.068 Uiso 1 1 calc R U . . .
C5 C 0.34061(18) 0.8303(3) 0.52364(9) 0.0483(5) Uani 1 1 d . . . . .
H5 H 0.297466 0.850166 0.557279 0.058 Uiso 1 1 calc R U . . .
C6 C 0.46319(17) 0.7625(2) 0.52992(7) 0.0384(4) Uani 1 1 d . . . . .
C7 C 0.52658(16) 0.7229(2) 0.58613(7) 0.0369(4) Uani 1 1 d . . . . .
C8 C 0.45922(16) 0.7302(2) 0.64152(7) 0.0395(4) Uani 1 1 d . . . . .
C9 C 0.35399(19) 0.6277(3) 0.64588(9) 0.0497(5) Uani 1 1 d . . . . .
H9 H 0.326759 0.553794 0.614640 0.060 Uiso 1 1 calc R U . . .
C10 C 0.2894(2) 0.6353(3) 0.69676(11) 0.0595(6) Uani 1 1 d . . . . .
H10 H 0.218710 0.566685 0.699506 0.071 Uiso 1 1 calc R U . . .
C11 C 0.3294(2) 0.7438(3) 0.74331(9) 0.0603(6) Uani 1 1 d . . . . .
H11 H 0.285563 0.748611 0.777306 0.072 Uiso 1 1 calc R U . . .
C12 C 0.4341(2) 0.8450(3) 0.73958(9) 0.0558(5) Uani 1 1 d . . . . .
H12 H 0.461428 0.917496 0.771189 0.067 Uiso 1 1 calc R U . . .
C13 C 0.49890(19) 0.8390(3) 0.68887(8) 0.0465(4) Uani 1 1 d . . . . .
H13 H 0.569438 0.908145 0.686417 0.056 Uiso 1 1 calc R U . . .
C14 C 0.65064(16) 0.6743(2) 0.58761(7) 0.0375(4) Uani 1 1 d . . . . .
C15 C 0.72062(16) 0.6425(3) 0.64336(8) 0.0413(4) Uani 1 1 d . . . . .
C16 C 0.77710(17) 0.6243(3) 0.69055(8) 0.0439(4) Uani 1 1 d . . . . .
C17 C 0.83960(18) 0.6080(3) 0.74875(8) 0.0438(4) Uani 1 1 d . . . . .
C18 C 0.9543(2) 0.5267(4) 0.75698(11) 0.0623(6) Uani 1 1 d . . . . .
H18 H 0.992992 0.482124 0.724603 0.075 Uiso 1 1 calc R U . . .
C19 C 1.0107(3) 0.5124(5) 0.81422(14) 0.0864(9) Uani 1 1 d . . . . .
H19 H 1.087671 0.457711 0.820084 0.104 Uiso 1 1 calc R U . . .
C20 C 0.9546(3) 0.5777(5) 0.86203(12) 0.0891(10) Uani 1 1 d . . . . .
H20 H 0.994167 0.568826 0.900029 0.107 Uiso 1 1 calc R U . . .
C21 C 0.8398(3) 0.6567(4) 0.85422(11) 0.0746(7) Uani 1 1 d . . . . .
H21 H 0.801234 0.699968 0.886838 0.089 Uiso 1 1 calc R U . . .
C22 C 0.7825(2) 0.6712(3) 0.79781(10) 0.0556(5) Uani 1 1 d . . . . .
H22 H 0.704777 0.723869 0.792447 0.067 Uiso 1 1 calc R U . . .
C23 C 0.70558(17) 0.6576(2) 0.53216(8) 0.0414(4) Uani 1 1 d . . . . .
C24 C 0.84141(19) 0.6091(3) 0.53065(9) 0.0538(5) Uani 1 1 d . . . . .


_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 C24 1.319(3) . ?
F2 C24 1.312(3) . ?
F3 C24 1.317(3) . ?
N1 C1 1.362(3) . ?
N1 C23 1.307(2) . ?
C1 C2 1.414(3) . ?
C1 C6 1.417(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.358(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.401(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.360(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.418(3) . ?
C6 C7 1.426(2) . ?
C7 C8 1.490(2) . ?
C7 C14 1.388(2) . ?
C8 C9 1.387(3) . ?
C8 C13 1.391(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.385(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.377(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.437(2) . ?
C14 C23 1.426(2) . ?
C15 C16 1.193(3) . ?
C16 C17 1.434(2) . ?
C17 C18 1.384(3) . ?
C17 C22 1.389(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.388(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.375(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.515(3) . ?

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
C23 N1 C1 117.88(15) . . ?
N1 C1 C2 117.76(17) . . ?
N1 C1 C6 122.43(16) . . ?
C2 C1 C6 119.81(18) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.53(19) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.3(2) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 118.30(16) . . ?
C1 C6 C7 118.35(16) . . ?
C5 C6 C7 123.29(17) . . ?
C6 C7 C8 120.18(16) . . ?
C14 C7 C6 118.50(15) . . ?
C14 C7 C8 121.31(15) . . ?
C9 C8 C7 119.44(16) . . ?
C9 C8 C13 119.12(17) . . ?
C13 C8 C7 121.44(17) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(2) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.3(2) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.09(19) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(2) . . ?
C13 C12 H12 120.0 . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.4(2) . . ?
C12 C13 H13 119.8 . . ?
C7 C14 C15 120.71(15) . . ?
C7 C14 C23 117.74(15) . . ?
C23 C14 C15 121.55(16) . . ?
C16 C15 C14 176.8(2) . . ?
C15 C16 C17 176.8(2) . . ?
C18 C17 C16 121.14(19) . . ?
C18 C17 C22 119.51(19) . . ?
C22 C17 C16 119.33(18) . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.1(2) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.9(3) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.3(2) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.5(2) . . ?
C22 C21 H21 120.3 . . ?
C17 C22 H22 119.6 . . ?
C21 C22 C17 120.7(2) . . ?
C21 C22 H22 119.6 . . ?
N1 C23 C14 124.97(17) . . ?
N1 C23 C24 114.55(16) . . ?
C14 C23 C24 120.46(17) . . ?
F1 C24 C23 113.59(18) . . ?
F2 C24 F1 105.8(2) . . ?
F2 C24 F3 108.5(2) . . ?
F2 C24 C23 112.11(18) . . ?
F3 C24 F1 105.8(2) . . ?
F3 C24 C23 110.66(19) . . ?

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
N1 C1 C2 C3 -177.4(2) . . . . ?
N1 C1 C6 C5 176.12(18) . . . . ?
N1 C1 C6 C7 -1.3(3) . . . . ?
N1 C23 C24 F1 -134.3(2) . . . . ?
N1 C23 C24 F2 -14.4(3) . . . . ?
N1 C23 C24 F3 106.9(2) . . . . ?
C1 N1 C23 C14 2.2(3) . . . . ?
C1 N1 C23 C24 -176.10(17) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C1 C6 C7 C8 -174.90(16) . . . . ?
C1 C6 C7 C14 3.7(3) . . . . ?
C2 C1 C6 C5 -3.2(3) . . . . ?
C2 C1 C6 C7 179.43(17) . . . . ?
C2 C3 C4 C5 -1.1(4) . . . . ?
C3 C4 C5 C6 -0.2(3) . . . . ?
C4 C5 C6 C1 2.3(3) . . . . ?
C4 C5 C6 C7 179.55(19) . . . . ?
C5 C6 C7 C8 7.9(3) . . . . ?
C5 C6 C7 C14 -173.50(17) . . . . ?
C6 C1 C2 C3 2.0(3) . . . . ?
C6 C7 C8 C9 57.1(2) . . . . ?
C6 C7 C8 C13 -122.3(2) . . . . ?
C6 C7 C14 C15 176.54(16) . . . . ?
C6 C7 C14 C23 -3.3(3) . . . . ?
C7 C8 C9 C10 -179.02(18) . . . . ?
C7 C8 C13 C12 179.31(18) . . . . ?
C7 C14 C23 N1 0.4(3) . . . . ?
C7 C14 C23 C24 178.53(18) . . . . ?
C8 C7 C14 C15 -4.8(3) . . . . ?
C8 C7 C14 C23 175.30(16) . . . . ?
C8 C9 C10 C11 -0.3(3) . . . . ?
C9 C8 C13 C12 -0.1(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C13 0.5(3) . . . . ?
C11 C12 C13 C8 -0.4(3) . . . . ?
C13 C8 C9 C10 0.4(3) . . . . ?
C14 C7 C8 C9 -121.5(2) . . . . ?
C14 C7 C8 C13 59.1(2) . . . . ?
C14 C23 C24 F1 47.4(3) . . . . ?
C14 C23 C24 F2 167.3(2) . . . . ?
C14 C23 C24 F3 -71.5(3) . . . . ?
C15 C14 C23 N1 -179.48(18) . . . . ?
C15 C14 C23 C24 -1.3(3) . . . . ?
C16 C17 C18 C19 -179.4(2) . . . . ?
C16 C17 C22 C21 179.7(2) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C17 C22 C21 1.2(4) . . . . ?
C18 C19 C20 C21 1.0(6) . . . . ?
C19 C20 C21 C22 -0.7(5) . . . . ?
C20 C21 C22 C17 -0.4(4) . . . . ?
C22 C17 C18 C19 -1.0(4) . . . . ?
C23 N1 C1 C2 177.67(18) . . . . ?
C23 N1 C1 C6 -1.7(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.688
_oxdiff_exptl_absorpt_empirical_full_min 0.641
