# Supplementary Information (SI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_vm411
_database_code_depnum_ccdc_archive 'CCDC 2524805'
loop_
_audit_author_name
_audit_author_address
'Sergey Belyakov'
;Latvian Institute of Organic Synthesis
Latvia
;
_audit_update_record             
;
2026-01-21 deposited with the CCDC.	2026-05-04 downloaded from the CCDC.
;
_audit_creation_date             2026-01-19
_audit_creation_method           
;
Olex2 1.2-ac4
(compiled 2018.05.17 svn.r3504 for Rigaku Oxford Diffraction, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H11 F N4'
_chemical_formula_sum            'C17 H11 F N4'
_chemical_formula_weight         290.30
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c68 h44 f4 n16'
_chemical_oxdiff_usercomment     VM-411
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      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+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   5.90879(4)
_cell_length_b                   10.20119(8)
_cell_length_c                   21.8526(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1317.202(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12003
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      80.1310
_cell_measurement_theta_min      4.0390
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.832
_exptl_absorpt_coefficient_mu    0.828
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'Colourless '
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            14902
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.451
_diffrn_reflns_theta_min         4.046
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -101.00 -70.00   0.50    0.50    --  -49.98 163.00 160.00   62
  2  ω   -109.00 -84.00   0.50    0.50    --  -49.98-163.00 135.00   50
  3  ω    -75.00  -8.00   0.50    0.50    --  -49.98 116.00  11.00  134
  4  ω     86.00 112.00   0.50    0.50    --   49.98-163.00 135.00   52
  5  ω     34.00  59.00   0.50    0.50    --   49.98-116.00 -76.00   50
  6  ω     81.00 107.00   0.50    0.50    --   49.98 163.00 160.00   52
  7  ω    -96.00 -71.00   0.50    2.00    --  -90.00 163.00 160.00   50
  8  ω   -125.00-100.00   0.50    2.00    --  -90.00-116.00 -76.00   50
  9  ω   -118.00 -93.00   0.50    2.00    --  -90.00-163.00 135.00   50
 10  ω     46.00  85.00   0.50    2.00    --  111.50-116.00 -76.00   78
 11  ω    115.00 140.00   0.50    2.00    --  111.50 116.00  11.00   50
 12  ω     89.00 114.00   0.50    2.00    --  111.50 163.00 160.00   50
 13  ω     82.00 107.00   0.50    2.00    --  111.50-163.00 135.00   50
 14  ω   -114.00 -88.00   0.50    0.50    --  -49.98 -77.00-120.00   52
 15  ω   -119.00 -88.00   0.50    0.50    --  -49.98 -77.00 -60.00   62
 16  ω   -117.00 -91.00   0.50    0.50    --  -49.98 -77.00  30.00   52
 17  ω     91.00 121.00   0.50    0.50    --   49.98  77.00   0.00   60
 18  ω    -43.00 -17.00   0.50    2.00    --  -90.00  15.00-120.00   52
 19  ω     41.00  66.00   0.50    2.00    --  111.50 -61.00-120.00   50
 20  ω     65.00  91.00   0.50    2.00    --  111.50 -77.00 -90.00   52
 21  ω    134.00 172.00   0.50    2.00    --  111.50  61.00 -90.00   76
 22  ω    147.00 178.00   0.50    2.00    --  111.50  45.00 120.00   62
 23  ω    104.00 139.00   0.50    2.00    --  111.50  45.00 120.00   70
 24  ω     60.00 101.00   0.50    2.00    --  111.50-125.00 -90.00   82
 25  ω     44.00  70.00   0.50    2.00    --  111.50 -77.00-150.00   52
 26  ω     43.00  69.00   0.50    2.00    --  111.50 -77.00-180.00   52
 27  ω     41.00  66.00   0.50    2.00    --  111.50 -61.00 -60.00   50
 28  ω     45.00  90.00   0.50    2.00    --  111.50 -77.00  90.00   90
 29  ω     43.00  69.00   0.50    2.00    --  111.50-125.00 -30.00   52
 30  ω    105.00 168.00   0.50    2.00    --  111.50  45.00-120.00  126
 31  ω    126.00 176.00   0.50    2.00    --  111.50 125.00-150.00  100
 32  ω     74.00 100.00   0.50    2.00    --  111.50-125.00 -30.00   52
 33  ω    127.00 153.00   0.50    2.00    --  111.50  15.00-120.00   52
 34  ω     42.00  69.00   0.50    2.00    --  111.50 -77.00  60.00   54
 35  ω     44.00  70.00   0.50    2.00    --  111.50-125.00-120.00   52
 36  ω     52.00  77.00   0.50    2.00    --  111.50 -94.00 150.00   50
 37  ω    124.00 166.00   0.50    2.00    --  111.50  45.00 -30.00   84
 38  ω     43.00 100.00   0.50    2.00    --  111.50-125.00 120.00  114
 39  ω    129.00 165.00   0.50    2.00    --  111.50  30.00 -90.00   72
 40  ω     74.00  99.00   0.50    2.00    --  111.50 -94.00-150.00   50
 41  ω     62.00  87.00   0.50    2.00    --  111.50 -77.00-120.00   50
 42  ω     65.00  92.00   0.50    2.00    --  111.50 -77.00 -30.00   54
 43  ω     41.00  66.00   0.50    2.00    --  111.50 -77.00  30.00   50
 44  ω     42.00  67.00   0.50    2.00    --  111.50 -61.00 -30.00   50
 45  ω     43.00  92.00   0.50    2.00    --  111.50 -77.00 -60.00   98
 46  ω     43.00  68.00   0.50    2.00    --  111.50 -61.00 -90.00   50
 47  ω    104.00 146.00   0.50    2.00    --  111.50  61.00  90.00   84
 48  ω    142.00 167.00   0.50    2.00    --  111.50 125.00  30.00   50
 49  ω     41.00  66.00   0.50    2.00    --  111.50 -61.00 120.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku, XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0209058000
_diffrn_orient_matrix_UB_12      0.0818468000
_diffrn_orient_matrix_UB_13      -0.0589700000
_diffrn_orient_matrix_UB_21      -0.0944403000
_diffrn_orient_matrix_UB_22      0.1156857000
_diffrn_orient_matrix_UB_23      0.0374420000
_diffrn_orient_matrix_UB_31      0.2421271000
_diffrn_orient_matrix_UB_32      0.0521745000
_diffrn_orient_matrix_UB_33      0.0095235000
_diffrn_oxdiff_digest_frames     
;
0196dd7ca245111540a01115f612bb0c1700035f82d
;
_diffrn_oxdiff_digest_hkl        
;
010952e3d59f071551c357fd4cb7c9b2d87afb
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.688
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                2799
_reflns_number_total             2850
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     80.07
_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 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2011 (Burla et al.,  2007)'
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.166
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details 
;
 Flack x determined using 1143 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(6)
_refine_ls_extinction_coef       0.0068(7)
_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   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         2850
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0284
_refine_ls_restrained_S_all      1.074
_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)+(0.0446P)²+0.2089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0767
_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:
 C9(H9), C12(H12), C13(H13), C17(H17), C18(H18), C19(H19)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
N1 N 0.2974(2) 0.81652(13) 0.24464(6) 0.0204(3) Uani 1 1 d . . . . .
N2 N 0.4179(2) 0.71226(13) 0.22277(6) 0.0190(3) Uani 1 1 d . . . . .
C3 C 0.3529(3) 0.59502(15) 0.24542(7) 0.0201(3) Uani 1 1 d . . . . .
H3 H 0.426(4) 0.511(2) 0.2341(9) 0.026(5) Uiso 1 1 d . . . . .
C3A C 0.1734(3) 0.62170(15) 0.28484(7) 0.0190(3) Uani 1 1 d . . . . .
C4 C 0.0191(3) 0.54712(15) 0.32015(7) 0.0209(3) Uani 1 1 d . . . . .
H4 H 0.027(4) 0.450(2) 0.3210(9) 0.025(5) Uiso 1 1 d . . . . .
N5 N -0.1441(2) 0.60244(13) 0.35187(6) 0.0214(3) Uani 1 1 d . . . . .
C6 C -0.1627(3) 0.73767(15) 0.35101(7) 0.0190(3) Uani 1 1 d . . . . .
C7 C -0.0257(3) 0.81899(15) 0.31754(7) 0.0201(3) Uani 1 1 d . . . . .
H7 H -0.050(3) 0.916(2) 0.3178(9) 0.018(4) Uiso 1 1 d . . . . .
C7A C 0.1474(2) 0.75994(15) 0.28266(7) 0.0184(3) Uani 1 1 d . . . . .
C8 C 0.5829(2) 0.73331(15) 0.17597(7) 0.0191(3) Uani 1 1 d . . . . .
C9 C 0.5454(3) 0.82982(15) 0.13216(7) 0.0219(3) Uani 1 1 d . . . . .
H9 H 0.415117 0.884177 0.134243 0.026 Uiso 1 1 calc R . . . .
C10 C 0.7022(3) 0.84524(16) 0.08527(8) 0.0249(3) Uani 1 1 d . . . . .
H10 H 0.680(4) 0.911(2) 0.0537(10) 0.036(6) Uiso 1 1 d . . . . .
C11 C 0.8901(3) 0.76455(17) 0.08409(7) 0.0242(3) Uani 1 1 d . . . . .
C12 C 0.9299(3) 0.66897(17) 0.12715(7) 0.0242(3) Uani 1 1 d . . . . .
H12 H 1.061050 0.615256 0.125033 0.029 Uiso 1 1 calc R . . . .
C13 C 0.7724(3) 0.65338(16) 0.17390(8) 0.0227(3) Uani 1 1 d . . . . .
H13 H 0.794648 0.588103 0.204314 0.027 Uiso 1 1 calc R . . . .
C14 C -0.3469(3) 0.79283(15) 0.38966(7) 0.0196(3) Uani 1 1 d . . . . .
N15 N -0.3372(2) 0.92250(13) 0.40079(6) 0.0241(3) Uani 1 1 d . . . . .
C16 C -0.4990(3) 0.97403(17) 0.43609(8) 0.0278(4) Uani 1 1 d . . . . .
H16 H -0.487(4) 1.069(2) 0.4445(10) 0.031(5) Uiso 1 1 d . . . . .
C17 C -0.6749(3) 0.90242(19) 0.46144(8) 0.0299(4) Uani 1 1 d . . . . .
H17 H -0.785040 0.943383 0.486674 0.036 Uiso 1 1 calc R . . . .
C18 C -0.6855(3) 0.76919(19) 0.44893(7) 0.0278(4) Uani 1 1 d . . . . .
H18 H -0.804785 0.717054 0.464969 0.033 Uiso 1 1 calc R . . . .
C19 C -0.5194(3) 0.71377(16) 0.41270(7) 0.0231(3) Uani 1 1 d . . . . .
H19 H -0.522686 0.622724 0.403605 0.028 Uiso 1 1 calc R . . . .
F20 F 1.04334(19) 0.78063(12) 0.03862(5) 0.0363(3) 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
N1 N2 1.3662(18) . ?
N1 C7A 1.345(2) . ?
N2 C3 1.350(2) . ?
N2 C8 1.4291(19) . ?
C3 C3A 1.393(2) . ?
C3A C4 1.416(2) . ?
C3A C7A 1.419(2) . ?
C4 N5 1.315(2) . ?
N5 C6 1.384(2) . ?
C6 C7 1.371(2) . ?
C6 C14 1.488(2) . ?
C7 C7A 1.411(2) . ?
C8 C9 1.391(2) . ?
C8 C13 1.386(2) . ?
C9 C10 1.390(2) . ?
C10 C11 1.382(2) . ?
C11 C12 1.375(2) . ?
C11 F20 1.3544(18) . ?
C12 C13 1.391(2) . ?
C14 N15 1.346(2) . ?
C14 C19 1.394(2) . ?
N15 C16 1.336(2) . ?
C16 C17 1.386(3) . ?
C17 C18 1.388(3) . ?
C18 C19 1.382(2) . ?

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
C7A N1 N2 103.03(12) . . ?
N1 N2 C8 119.27(12) . . ?
C3 N2 N1 114.40(12) . . ?
C3 N2 C8 126.12(13) . . ?
N2 C3 C3A 105.68(13) . . ?
C3 C3A C4 136.23(15) . . ?
C3 C3A C7A 104.81(13) . . ?
C4 C3A C7A 118.84(14) . . ?
N5 C4 C3A 121.93(14) . . ?
C4 N5 C6 118.62(13) . . ?
N5 C6 C14 115.31(13) . . ?
C7 C6 N5 124.29(14) . . ?
C7 C6 C14 120.40(14) . . ?
C6 C7 C7A 117.28(14) . . ?
N1 C7A C3A 112.08(13) . . ?
N1 C7A C7 128.93(14) . . ?
C7 C7A C3A 118.98(14) . . ?
C9 C8 N2 119.35(13) . . ?
C13 C8 N2 119.08(14) . . ?
C13 C8 C9 121.51(14) . . ?
C10 C9 C8 118.77(14) . . ?
C11 C10 C9 118.79(15) . . ?
C12 C11 C10 123.16(15) . . ?
F20 C11 C10 118.60(14) . . ?
F20 C11 C12 118.24(15) . . ?
C11 C12 C13 117.96(15) . . ?
C8 C13 C12 119.82(15) . . ?
N15 C14 C6 116.30(14) . . ?
N15 C14 C19 122.30(14) . . ?
C19 C14 C6 121.40(14) . . ?
C16 N15 C14 117.42(14) . . ?
N15 C16 C17 124.05(16) . . ?
C16 C17 C18 118.13(16) . . ?
C19 C18 C17 118.77(16) . . ?
C18 C19 C14 119.31(15) . . ?

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 N2 C3 C3A 0.84(17) . . . . ?
N1 N2 C8 C9 -33.7(2) . . . . ?
N1 N2 C8 C13 148.93(14) . . . . ?
N2 N1 C7A C3A 0.15(16) . . . . ?
N2 N1 C7A C7 -178.46(15) . . . . ?
N2 C3 C3A C4 175.12(17) . . . . ?
N2 C3 C3A C7A -0.67(16) . . . . ?
N2 C8 C9 C10 -177.08(14) . . . . ?
N2 C8 C13 C12 177.34(14) . . . . ?
C3 N2 C8 C9 140.72(16) . . . . ?
C3 N2 C8 C13 -36.7(2) . . . . ?
C3 C3A C4 N5 -176.82(17) . . . . ?
C3 C3A C7A N1 0.33(17) . . . . ?
C3 C3A C7A C7 179.09(13) . . . . ?
C3A C4 N5 C6 -0.7(2) . . . . ?
C4 C3A C7A N1 -176.34(13) . . . . ?
C4 C3A C7A C7 2.4(2) . . . . ?
C4 N5 C6 C7 2.1(2) . . . . ?
C4 N5 C6 C14 -178.09(13) . . . . ?
N5 C6 C7 C7A -1.1(2) . . . . ?
N5 C6 C14 N15 165.37(13) . . . . ?
N5 C6 C14 C19 -14.8(2) . . . . ?
C6 C7 C7A N1 177.34(15) . . . . ?
C6 C7 C7A C3A -1.2(2) . . . . ?
C6 C14 N15 C16 -179.09(13) . . . . ?
C6 C14 C19 C18 179.32(14) . . . . ?
C7 C6 C14 N15 -14.8(2) . . . . ?
C7 C6 C14 C19 165.05(15) . . . . ?
C7A N1 N2 C3 -0.62(17) . . . . ?
C7A N1 N2 C8 174.39(12) . . . . ?
C7A C3A C4 N5 -1.5(2) . . . . ?
C8 N2 C3 C3A -173.77(13) . . . . ?
C8 C9 C10 C11 -0.3(2) . . . . ?
C9 C8 C13 C12 0.0(2) . . . . ?
C9 C10 C11 C12 0.1(3) . . . . ?
C9 C10 C11 F20 -179.45(15) . . . . ?
C10 C11 C12 C13 0.1(3) . . . . ?
C11 C12 C13 C8 -0.2(2) . . . . ?
C13 C8 C9 C10 0.3(2) . . . . ?
C14 C6 C7 C7A 179.10(13) . . . . ?
C14 N15 C16 C17 -0.3(2) . . . . ?
N15 C14 C19 C18 -0.8(2) . . . . ?
N15 C16 C17 C18 -0.7(3) . . . . ?
C16 C17 C18 C19 0.9(3) . . . . ?
C17 C18 C19 C14 -0.2(2) . . . . ?
C19 C14 N15 C16 1.0(2) . . . . ?
F20 C11 C12 C13 179.70(14) . . . . ?

_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 2.003
_oxdiff_exptl_absorpt_empirical_full_min 0.426
