# Supplementary Information (SI) for ChemComm.
# 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. 
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data_k11211-jjw-a_auto
_database_code_depnum_ccdc_archive 'CCDC 2518062'
loop_
_audit_author_name
_audit_author_address
'Dr. Gopal Chandru Senadi'
;SRM Institute of Science and Technology
India
;
_audit_update_record             
;
2025-12-22 deposited with the CCDC.	2026-04-17 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H13 F3 N2 O'
_chemical_formula_sum            'C22 H13 F3 N2 O'
_chemical_formula_weight         378.34
_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   20.3531(4)
_cell_length_b                   6.3271(2)
_cell_length_c                   26.0541(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.101(2)
_cell_angle_gamma                90
_cell_volume                     3355.14(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10156
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      26.9190
_cell_measurement_theta_min      2.0000
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.977
_exptl_absorpt_coefficient_mu    0.116
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
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    1.498
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15134
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.563
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00 100.00   0.50   46.24    --   10.60  77.00-150.00  230
  2  ω   -100.00  79.00   0.50   46.24    --  -10.90  19.00-150.00  358
  3  ω    -36.00  79.00   0.50   46.24    --  -10.90  77.00-120.00  230
  4  ω    -79.00  38.00   0.50   46.24    --   10.60 -82.00   0.00  234
  5  ω   -100.00 -27.00   0.50   46.24    --  -10.90 -82.00 -30.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro II AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0208879000
_diffrn_orient_matrix_UB_12      -0.0206613000
_diffrn_orient_matrix_UB_13      -0.0211762000
_diffrn_orient_matrix_UB_21      -0.0278348000
_diffrn_orient_matrix_UB_22      -0.0089386000
_diffrn_orient_matrix_UB_23      -0.0162658000
_diffrn_orient_matrix_UB_31      0.0016586000
_diffrn_orient_matrix_UB_32      0.1098475000
_diffrn_orient_matrix_UB_33      -0.0053000000
_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              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2608
_reflns_number_total             2937
_reflns_odcompleteness_completeness 98.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (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  (Sheldrick, 2015)'
_refine_diff_density_max         0.244
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       0.0006(2)
_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   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         2937
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.075
_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)+(0.0480P)²+1.7985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.0896
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N1(H1), C6(H6), C15(H15), C2(H2), C22(H22), C14(H14), C11(H11), C18(H18),
 C21(H21), C13(H13), C12(H12), C19(H19), C20(H20)
;
_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 0.56957(4) 1.34013(13) 0.18918(3) 0.0361(2) Uani 1 1 d . . . . .
F2 F 0.64719(4) 1.27709(14) 0.10687(3) 0.0390(2) Uani 1 1 d . . . . .
F3 F 0.71033(4) 0.90716(16) 0.09485(3) 0.0467(3) Uani 1 1 d . . . . .
O1 O 0.72385(4) 0.11356(15) 0.30333(3) 0.0275(2) Uani 1 1 d . . . . .
N1 N 0.67085(5) 0.50028(18) 0.26814(4) 0.0219(3) Uani 1 1 d . . . . .
H1 H 0.705426 0.468045 0.249480 0.026 Uiso 1 1 calc R U . . .
N2 N 0.58167(5) 0.66831(18) 0.29492(4) 0.0245(3) Uani 1 1 d . . . . .
C10 C 0.67621(6) 0.1500(2) 0.38575(5) 0.0210(3) Uani 1 1 d . . . . .
C9 C 0.68472(6) 0.2107(2) 0.33082(5) 0.0218(3) Uani 1 1 d . . . . .
C7 C 0.62971(6) 0.6646(2) 0.26023(5) 0.0222(3) Uani 1 1 d . . . . .
C8 C 0.64884(6) 0.3919(2) 0.31084(5) 0.0217(3) Uani 1 1 d . . . . .
C16 C 0.59211(6) 0.4981(2) 0.32598(5) 0.0225(3) Uani 1 1 d . . . . .
C17 C 0.54403(6) 0.4456(2) 0.36641(5) 0.0229(3) Uani 1 1 d . . . . .
C1 C 0.63509(6) 0.8213(2) 0.21912(5) 0.0234(3) Uani 1 1 d . . . . .
C6 C 0.67402(6) 0.7867(2) 0.17587(5) 0.0267(3) Uani 1 1 d . . . . .
H6 H 0.698552 0.659797 0.172299 0.032 Uiso 1 1 calc R U . . .
C15 C 0.66895(6) 0.3038(2) 0.42356(5) 0.0243(3) Uani 1 1 d . . . . .
H15 H 0.666820 0.448656 0.414069 0.029 Uiso 1 1 calc R U . . .
C2 C 0.59844(6) 1.0066(2) 0.22337(5) 0.0258(3) Uani 1 1 d . . . . .
H2 H 0.570376 1.027926 0.251997 0.031 Uiso 1 1 calc R U . . .
C22 C 0.52297(6) 0.6040(2) 0.39975(5) 0.0249(3) Uani 1 1 d . . . . .
H22 H 0.539189 0.743983 0.396058 0.030 Uiso 1 1 calc R U . . .
C3 C 0.60328(6) 1.1578(2) 0.18581(5) 0.0267(3) Uani 1 1 d . . . . .
C14 C 0.66479(6) 0.2480(2) 0.47478(5) 0.0274(3) Uani 1 1 d . . . . .
H14 H 0.660167 0.354193 0.500290 0.033 Uiso 1 1 calc R U . . .
C4 C 0.64267(6) 1.1278(2) 0.14341(5) 0.0285(3) Uani 1 1 d . . . . .
C11 C 0.67958(6) -0.0610(2) 0.40019(5) 0.0260(3) Uani 1 1 d . . . . .
H11 H 0.685225 -0.167480 0.374874 0.031 Uiso 1 1 calc R U . . .
C18 C 0.51849(6) 0.2429(2) 0.37109(5) 0.0269(3) Uani 1 1 d . . . . .
H18 H 0.532036 0.134868 0.348107 0.032 Uiso 1 1 calc R U . . .
C21 C 0.47837(6) 0.5573(2) 0.43830(5) 0.0280(3) Uani 1 1 d . . . . .
H21 H 0.464709 0.664774 0.461411 0.034 Uiso 1 1 calc R U . . .
C13 C 0.66738(7) 0.0378(2) 0.48877(5) 0.0304(3) Uani 1 1 d . . . . .
H13 H 0.664131 -0.000918 0.523898 0.036 Uiso 1 1 calc R U . . .
C5 C 0.67609(6) 0.9399(2) 0.13861(5) 0.0297(3) Uani 1 1 d . . . . .
C12 C 0.67469(7) -0.1164(2) 0.45158(5) 0.0324(3) Uani 1 1 d . . . . .
H12 H 0.676386 -0.261007 0.461277 0.039 Uiso 1 1 calc R U . . .
C19 C 0.47306(7) 0.1982(3) 0.40943(5) 0.0311(3) Uani 1 1 d . . . . .
H19 H 0.455287 0.059924 0.412452 0.037 Uiso 1 1 calc R U . . .
C20 C 0.45379(7) 0.3550(3) 0.44313(5) 0.0314(3) Uani 1 1 d . . . . .
H20 H 0.423493 0.323440 0.469738 0.038 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 C3 1.3452(16) . ?
F2 C4 1.3443(15) . ?
F3 C5 1.3535(16) . ?
O1 C9 1.2357(15) . ?
N1 H1 0.8800 . ?
N1 C7 1.3506(17) . ?
N1 C8 1.3822(16) . ?
N2 C7 1.3326(16) . ?
N2 C16 1.3633(17) . ?
C10 C9 1.4922(17) . ?
C10 C15 1.3931(18) . ?
C10 C11 1.388(2) . ?
C9 C8 1.4551(19) . ?
C7 C1 1.4638(18) . ?
C8 C16 1.3937(18) . ?
C16 C17 1.4769(17) . ?
C17 C22 1.3945(19) . ?
C17 C18 1.389(2) . ?
C1 C6 1.3961(19) . ?
C1 C2 1.394(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.3728(19) . ?
C15 H15 0.9500 . ?
C15 C14 1.3831(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.3723(19) . ?
C22 H22 0.9500 . ?
C22 C21 1.3869(19) . ?
C3 C4 1.379(2) . ?
C14 H14 0.9500 . ?
C14 C13 1.380(2) . ?
C4 C5 1.375(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.3878(19) . ?
C18 H18 0.9500 . ?
C18 C19 1.3917(19) . ?
C21 H21 0.9500 . ?
C21 C20 1.380(2) . ?
C13 H13 0.9500 . ?
C13 C12 1.383(2) . ?
C12 H12 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.382(2) . ?
C20 H20 0.9500 . ?

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 H1 126.2 . . ?
C7 N1 C8 107.64(10) . . ?
C8 N1 H1 126.2 . . ?
C7 N2 C16 105.96(11) . . ?
C15 C10 C9 120.73(12) . . ?
C11 C10 C9 120.10(12) . . ?
C11 C10 C15 119.05(12) . . ?
O1 C9 C10 120.26(11) . . ?
O1 C9 C8 120.53(11) . . ?
C8 C9 C10 119.14(11) . . ?
N1 C7 C1 125.87(11) . . ?
N2 C7 N1 111.43(11) . . ?
N2 C7 C1 122.70(12) . . ?
N1 C8 C9 121.05(11) . . ?
N1 C8 C16 104.97(11) . . ?
C16 C8 C9 133.98(12) . . ?
N2 C16 C8 109.95(11) . . ?
N2 C16 C17 119.90(11) . . ?
C8 C16 C17 130.05(12) . . ?
C22 C17 C16 119.15(12) . . ?
C18 C17 C16 121.27(12) . . ?
C18 C17 C22 119.56(12) . . ?
C6 C1 C7 121.84(12) . . ?
C2 C1 C7 118.08(12) . . ?
C2 C1 C6 120.05(13) . . ?
C1 C6 H6 120.7 . . ?
C5 C6 C1 118.55(13) . . ?
C5 C6 H6 120.7 . . ?
C10 C15 H15 119.7 . . ?
C14 C15 C10 120.69(13) . . ?
C14 C15 H15 119.7 . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.38(12) . . ?
C3 C2 H2 120.3 . . ?
C17 C22 H22 120.0 . . ?
C21 C22 C17 120.02(14) . . ?
C21 C22 H22 120.0 . . ?
F1 C3 C2 120.95(12) . . ?
F1 C3 C4 117.87(12) . . ?
C2 C3 C4 121.18(13) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 C15 119.92(13) . . ?
C13 C14 H14 120.0 . . ?
F2 C4 C3 120.73(13) . . ?
F2 C4 C5 120.57(12) . . ?
C5 C4 C3 118.68(13) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.03(13) . . ?
C12 C11 H11 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.00(13) . . ?
C19 C18 H18 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 120.09(13) . . ?
C20 C21 H21 120.0 . . ?
C14 C13 H13 120.0 . . ?
C14 C13 C12 119.92(13) . . ?
C12 C13 H13 120.0 . . ?
F3 C5 C6 120.26(13) . . ?
F3 C5 C4 117.68(12) . . ?
C6 C5 C4 122.04(13) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.38(14) . . ?
C13 C12 H12 119.8 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 119.97(14) . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.32(13) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?

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 C3 C4 F2 0.26(18) . . . . ?
F1 C3 C4 C5 -178.23(12) . . . . ?
F2 C4 C5 F3 -3.55(19) . . . . ?
F2 C4 C5 C6 178.13(12) . . . . ?
O1 C9 C8 N1 -20.35(18) . . . . ?
O1 C9 C8 C16 161.08(14) . . . . ?
N1 C7 C1 C6 16.7(2) . . . . ?
N1 C7 C1 C2 -165.18(12) . . . . ?
N1 C8 C16 N2 -2.20(14) . . . . ?
N1 C8 C16 C17 174.17(12) . . . . ?
N2 C7 C1 C6 -162.88(12) . . . . ?
N2 C7 C1 C2 15.28(19) . . . . ?
N2 C16 C17 C22 -49.82(17) . . . . ?
N2 C16 C17 C18 128.81(13) . . . . ?
C10 C9 C8 N1 156.61(11) . . . . ?
C10 C9 C8 C16 -22.0(2) . . . . ?
C10 C15 C14 C13 -0.46(19) . . . . ?
C10 C11 C12 C13 -0.9(2) . . . . ?
C9 C10 C15 C14 -176.32(11) . . . . ?
C9 C10 C11 C12 177.02(12) . . . . ?
C9 C8 C16 N2 176.54(13) . . . . ?
C9 C8 C16 C17 -7.1(2) . . . . ?
C7 N1 C8 C9 -177.18(11) . . . . ?
C7 N1 C8 C16 1.76(14) . . . . ?
C7 N2 C16 C8 1.77(14) . . . . ?
C7 N2 C16 C17 -175.02(11) . . . . ?
C7 C1 C6 C5 179.30(12) . . . . ?
C7 C1 C2 C3 178.99(11) . . . . ?
C8 N1 C7 N2 -0.75(14) . . . . ?
C8 N1 C7 C1 179.67(12) . . . . ?
C8 C16 C17 C22 134.12(15) . . . . ?
C8 C16 C17 C18 -47.3(2) . . . . ?
C16 N2 C7 N1 -0.63(14) . . . . ?
C16 N2 C7 C1 178.97(11) . . . . ?
C16 C17 C22 C21 -179.34(11) . . . . ?
C16 C17 C18 C19 -179.74(12) . . . . ?
C17 C22 C21 C20 -1.23(19) . . . . ?
C17 C18 C19 C20 -0.6(2) . . . . ?
C1 C6 C5 F3 -176.31(12) . . . . ?
C1 C6 C5 C4 2.0(2) . . . . ?
C1 C2 C3 F1 -178.73(11) . . . . ?
C1 C2 C3 C4 1.40(19) . . . . ?
C6 C1 C2 C3 -2.83(19) . . . . ?
C15 C10 C9 O1 140.06(13) . . . . ?
C15 C10 C9 C8 -36.91(16) . . . . ?
C15 C10 C11 C12 0.99(19) . . . . ?
C15 C14 C13 C12 0.6(2) . . . . ?
C2 C1 C6 C5 1.18(19) . . . . ?
C2 C3 C4 F2 -179.87(11) . . . . ?
C2 C3 C4 C5 1.6(2) . . . . ?
C22 C17 C18 C19 -1.12(19) . . . . ?
C22 C21 C20 C19 -0.5(2) . . . . ?
C3 C4 C5 F3 174.94(12) . . . . ?
C3 C4 C5 C6 -3.4(2) . . . . ?
C14 C13 C12 C11 0.1(2) . . . . ?
C11 C10 C9 O1 -35.91(17) . . . . ?
C11 C10 C9 C8 147.12(12) . . . . ?
C11 C10 C15 C14 -0.32(18) . . . . ?
C18 C17 C22 C21 2.02(18) . . . . ?
C18 C19 C20 C21 1.4(2) . . . . ?

_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 1.593
_oxdiff_exptl_absorpt_empirical_full_min 0.592
