# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 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_origi93
_database_code_depnum_ccdc_archive 'CCDC 2352149'
loop_
_audit_author_name
_audit_author_address
'Benny Bogoslavsky'
;The Hebrew University of Jerusalem
Israel
;
_audit_update_record             
;
2024-04-30 deposited with the CCDC.	2024-06-07 downloaded from the CCDC.
;
_audit_creation_date             2022-09-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H7 F4 N O'
_chemical_formula_sum            'C19 H7 F4 N O'
_chemical_formula_weight         341.26
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C19 H20 N O F4'
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                   6.9645(3)
_cell_length_b                   13.1363(6)
_cell_length_c                   14.5331(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.668(4)
_cell_angle_gamma                90
_cell_volume                     1326.88(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3177
_cell_measurement_temperature    100.00(11)
_cell_measurement_theta_max      32.2740
_cell_measurement_theta_min      3.0930
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.955
_exptl_absorpt_coefficient_mu    0.145
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.67a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             688
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 2 20 0.0337
-9 4 5 0.1402
10 -3 -1 0.1614
0 -2 -20 0.0207
0 18 -3 0.0249
0 15 11 0.0264
0 -15 -12 0.0151
0 -18 -4 0.0095
0 -14 14 0.0154
-1 14 -13 0.0219

_exptl_crystal_size_max          0.322
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.038
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.2368 2.2461 20.3207 -0.9986 0.0261 -0.0466
-9.4471 3.8174 4.9357 -0.2714 0.0066 0.9625
9.6466 -3.4538 -0.8682 0.0722 -0.0014 -0.9974
-0.1023 -2.1253 -20.2960 0.9963 -0.0261 0.0817
-0.2938 18.3518 -2.6496 -0.0256 -0.9760 0.2161
-0.3825 15.3368 11.4922 -0.6823 -0.7190 0.1325
0.2130 -15.3125 -11.5278 0.6838 0.7206 -0.1151
0.3018 -18.2242 -3.6427 0.3279 0.9260 -0.1873
0.4198 -13.6093 13.7801 -0.5506 0.8013 -0.2339
-1.4325 13.5472 -13.4256 0.5339 -0.7771 0.3333

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.803
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8943
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.803
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.028
_diffrn_reflns_theta_min         3.101
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(11)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.803
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00  27.00   0.50  420.00    --    6.81 -77.00  90.00  180
  2  ω    -56.00   5.00   0.50  420.00    --    6.81 -19.00 150.00  122
  3  ω    -20.00  19.00   0.50  420.00    --   -7.90 -99.00 150.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0001587000
_diffrn_orient_matrix_UB_12      -0.0083545000
_diffrn_orient_matrix_UB_13      -0.0482154000
_diffrn_orient_matrix_UB_21      -0.0183201000
_diffrn_orient_matrix_UB_22      -0.0524859000
_diffrn_orient_matrix_UB_23      0.0068726000
_diffrn_orient_matrix_UB_31      -0.1003917000
_diffrn_orient_matrix_UB_32      0.0095160000
_diffrn_orient_matrix_UB_33      -0.0045145000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2439
_reflns_number_total             3721
_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 1.171.42.67a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_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 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3721
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0720
_refine_ls_restrained_S_all      1.038
_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)+(0.0908P)²+0.5290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.1806
_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:
 C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11)
;
_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 0.5753(2) 0.45879(11) 0.24788(9) 0.0277(4) Uani 1 1 d . . . . .
F2 F 0.5455(2) 0.25870(12) 0.25895(12) 0.0393(4) Uani 1 1 d . . . . .
F3 F 0.6450(2) 0.15992(11) 0.41871(13) 0.0418(5) Uani 1 1 d . . . . .
F4 F 0.7683(2) 0.26191(11) 0.56898(12) 0.0356(4) Uani 1 1 d . . . . .
O1 O 0.6277(2) 0.63369(13) 0.33036(10) 0.0217(4) Uani 1 1 d . . . . .
N1 N 0.7558(2) 0.63609(13) 0.47780(11) 0.0129(4) Uani 1 1 d . . . . .
C1 C 0.8060(3) 0.58636(17) 0.56043(13) 0.0146(4) Uani 1 1 d . . . . .
C2 C 0.8001(3) 0.48211(18) 0.57249(15) 0.0179(5) Uani 1 1 d . . . . .
C3 C 0.8553(3) 0.4479(2) 0.66287(16) 0.0250(5) Uani 1 1 d . . . . .
H3 H 0.856772 0.377118 0.676175 0.030 Uiso 1 1 calc R U . . .
C4 C 0.9076(3) 0.5179(2) 0.73249(16) 0.0287(6) Uani 1 1 d . . . . .
H4 H 0.945112 0.492841 0.792293 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9072(3) 0.6221(2) 0.71805(15) 0.0245(6) Uani 1 1 d . . . . .
H5 H 0.940244 0.667927 0.767106 0.029 Uiso 1 1 calc R U . . .
C6 C 0.8568(3) 0.65791(18) 0.62927(14) 0.0167(5) Uani 1 1 d . . . . .
C7 C 0.8354(3) 0.75737(18) 0.58693(14) 0.0167(5) Uani 1 1 d . . . . .
C8 C 0.8638(3) 0.85663(19) 0.62057(16) 0.0217(5) Uani 1 1 d . . . . .
H8 H 0.907753 0.868334 0.682899 0.026 Uiso 1 1 calc R U . . .
C9 C 0.8261(3) 0.93698(19) 0.56081(17) 0.0250(5) Uani 1 1 d . . . . .
H9 H 0.842315 1.004666 0.582967 0.030 Uiso 1 1 calc R U . . .
C10 C 0.7647(3) 0.92102(18) 0.46865(17) 0.0235(5) Uani 1 1 d . . . . .
H10 H 0.740371 0.977959 0.429311 0.028 Uiso 1 1 calc R U . . .
C11 C 0.7383(3) 0.82309(17) 0.43335(15) 0.0192(5) Uani 1 1 d . . . . .
H11 H 0.698637 0.812018 0.370387 0.023 Uiso 1 1 calc R U . . .
C12 C 0.7724(3) 0.74247(16) 0.49365(14) 0.0140(4) Uani 1 1 d . . . . .
C13 C 0.6849(3) 0.58660(17) 0.39867(14) 0.0148(4) Uani 1 1 d . . . . .
C14 C 0.6829(3) 0.47306(17) 0.40750(15) 0.0166(4) Uani 1 1 d . . . . .
C15 C 0.7354(3) 0.42188(17) 0.49141(15) 0.0176(5) Uani 1 1 d . . . . .
C16 C 0.6220(3) 0.41589(18) 0.32961(16) 0.0212(5) Uani 1 1 d . . . . .
C17 C 0.6083(3) 0.3113(2) 0.33366(18) 0.0275(6) Uani 1 1 d . . . . .
C18 C 0.6578(3) 0.26152(18) 0.4149(2) 0.0284(6) Uani 1 1 d . . . . .
C19 C 0.7211(3) 0.31602(19) 0.49179(18) 0.0256(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 C16 1.336(3) . ?
F2 C17 1.337(3) . ?
F3 C18 1.339(3) . ?
F4 C19 1.351(3) . ?
O1 C13 1.215(3) . ?
N1 C1 1.392(3) . ?
N1 C12 1.420(3) . ?
N1 C13 1.384(3) . ?
C1 C2 1.382(3) . ?
C1 C6 1.402(3) . ?
C2 C3 1.418(3) . ?
C2 C15 1.466(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.398(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(3) . ?
C6 C7 1.448(3) . ?
C7 C8 1.402(3) . ?
C7 C12 1.412(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.381(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.395(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(3) . ?
C13 C14 1.497(3) . ?
C14 C15 1.420(3) . ?
C14 C16 1.401(3) . ?
C15 C19 1.394(3) . ?
C16 C17 1.378(3) . ?
C17 C18 1.374(4) . ?
C18 C19 1.376(4) . ?

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
C1 N1 C12 107.98(17) . . ?
C13 N1 C1 123.57(19) . . ?
C13 N1 C12 128.17(18) . . ?
N1 C1 C6 109.8(2) . . ?
C2 C1 N1 124.5(2) . . ?
C2 C1 C6 125.6(2) . . ?
C1 C2 C3 115.0(2) . . ?
C1 C2 C15 116.31(19) . . ?
C3 C2 C15 128.7(2) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 118.6 . . ?
C5 C4 C3 122.8(2) . . ?
C5 C4 H4 118.6 . . ?
C4 C5 H5 121.0 . . ?
C4 C5 C6 118.1(2) . . ?
C6 C5 H5 121.0 . . ?
C1 C6 C7 106.70(18) . . ?
C5 C6 C1 118.1(2) . . ?
C5 C6 C7 135.2(2) . . ?
C8 C7 C6 133.1(2) . . ?
C8 C7 C12 119.5(2) . . ?
C12 C7 C6 107.48(19) . . ?
C7 C8 H8 120.8 . . ?
C9 C8 C7 118.3(2) . . ?
C9 C8 H8 120.8 . . ?
C8 C9 H9 119.2 . . ?
C8 C9 C10 121.5(2) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(2) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 121.3 . . ?
C12 C11 C10 117.4(2) . . ?
C12 C11 H11 121.3 . . ?
C7 C12 N1 108.01(18) . . ?
C11 C12 N1 129.87(19) . . ?
C11 C12 C7 122.1(2) . . ?
O1 C13 N1 121.4(2) . . ?
O1 C13 C14 124.94(19) . . ?
N1 C13 C14 113.68(18) . . ?
C15 C14 C13 122.8(2) . . ?
C16 C14 C13 118.0(2) . . ?
C16 C14 C15 119.2(2) . . ?
C14 C15 C2 118.9(2) . . ?
C19 C15 C2 123.6(2) . . ?
C19 C15 C14 117.5(2) . . ?
F1 C16 C14 122.4(2) . . ?
F1 C16 C17 116.4(2) . . ?
C17 C16 C14 121.2(2) . . ?
F2 C17 C16 120.0(3) . . ?
F2 C17 C18 120.2(2) . . ?
C18 C17 C16 119.8(2) . . ?
F3 C18 C17 119.8(2) . . ?
F3 C18 C19 120.2(3) . . ?
C17 C18 C19 120.0(2) . . ?
F4 C19 C15 121.0(2) . . ?
F4 C19 C18 116.7(2) . . ?
C18 C19 C15 122.3(2) . . ?

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 C16 C17 F2 -1.9(3) . . . . ?
F1 C16 C17 C18 178.66(19) . . . . ?
F2 C17 C18 F3 0.8(3) . . . . ?
F2 C17 C18 C19 -179.6(2) . . . . ?
F3 C18 C19 F4 0.1(3) . . . . ?
F3 C18 C19 C15 -179.5(2) . . . . ?
O1 C13 C14 C15 -174.2(2) . . . . ?
O1 C13 C14 C16 4.3(3) . . . . ?
N1 C1 C2 C3 -179.25(18) . . . . ?
N1 C1 C2 C15 -0.1(3) . . . . ?
N1 C1 C6 C5 178.43(18) . . . . ?
N1 C1 C6 C7 0.4(2) . . . . ?
N1 C13 C14 C15 4.4(3) . . . . ?
N1 C13 C14 C16 -177.08(17) . . . . ?
C1 N1 C12 C7 0.6(2) . . . . ?
C1 N1 C12 C11 180.0(2) . . . . ?
C1 N1 C13 O1 173.71(19) . . . . ?
C1 N1 C13 C14 -5.0(3) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C1 C2 C15 C14 -0.4(3) . . . . ?
C1 C2 C15 C19 179.99(19) . . . . ?
C1 C6 C7 C8 179.7(2) . . . . ?
C1 C6 C7 C12 0.0(2) . . . . ?
C2 C1 C6 C5 0.4(3) . . . . ?
C2 C1 C6 C7 -177.64(19) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C2 C15 C19 F4 -0.3(3) . . . . ?
C2 C15 C19 C18 179.2(2) . . . . ?
C3 C2 C15 C14 178.6(2) . . . . ?
C3 C2 C15 C19 -1.0(4) . . . . ?
C3 C4 C5 C6 -1.7(3) . . . . ?
C4 C5 C6 C1 1.2(3) . . . . ?
C4 C5 C6 C7 178.5(2) . . . . ?
C5 C6 C7 C8 2.1(4) . . . . ?
C5 C6 C7 C12 -177.6(2) . . . . ?
C6 C1 C2 C3 -1.5(3) . . . . ?
C6 C1 C2 C15 177.66(19) . . . . ?
C6 C7 C8 C9 -178.8(2) . . . . ?
C6 C7 C12 N1 -0.4(2) . . . . ?
C6 C7 C12 C11 -179.80(19) . . . . ?
C7 C8 C9 C10 -1.2(3) . . . . ?
C8 C7 C12 N1 179.92(18) . . . . ?
C8 C7 C12 C11 0.5(3) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C9 C10 C11 C12 1.1(3) . . . . ?
C10 C11 C12 N1 179.3(2) . . . . ?
C10 C11 C12 C7 -1.4(3) . . . . ?
C12 N1 C1 C2 177.44(19) . . . . ?
C12 N1 C1 C6 -0.6(2) . . . . ?
C12 N1 C13 O1 0.6(3) . . . . ?
C12 N1 C13 C14 -178.08(18) . . . . ?
C12 C7 C8 C9 0.8(3) . . . . ?
C13 N1 C1 C2 3.1(3) . . . . ?
C13 N1 C1 C6 -174.95(18) . . . . ?
C13 N1 C12 C7 174.58(18) . . . . ?
C13 N1 C12 C11 -6.0(4) . . . . ?
C13 C14 C15 C2 -1.9(3) . . . . ?
C13 C14 C15 C19 177.77(19) . . . . ?
C13 C14 C16 F1 3.2(3) . . . . ?
C13 C14 C16 C17 -177.11(19) . . . . ?
C14 C15 C19 F4 -179.96(18) . . . . ?
C14 C15 C19 C18 -0.4(3) . . . . ?
C14 C16 C17 F2 178.41(19) . . . . ?
C14 C16 C17 C18 -1.0(3) . . . . ?
C15 C2 C3 C4 -178.0(2) . . . . ?
C15 C14 C16 F1 -178.23(19) . . . . ?
C15 C14 C16 C17 1.5(3) . . . . ?
C16 C14 C15 C2 179.63(19) . . . . ?
C16 C14 C15 C19 -0.7(3) . . . . ?
C16 C17 C18 F3 -179.8(2) . . . . ?
C16 C17 C18 C19 -0.1(3) . . . . ?
C17 C18 C19 F4 -179.6(2) . . . . ?
C17 C18 C19 C15 0.9(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 2.008
_oxdiff_exptl_absorpt_empirical_full_min 0.464
