# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_wangtao_0625-3_auto
_database_code_depnum_ccdc_archive 'CCDC 2209201'
loop_
_audit_author_name
_audit_author_address
'wang tao'
;LanZhou university
China
;
_audit_update_record             
;
2022-09-24 deposited with the CCDC.	2023-10-05 downloaded from the CCDC.
;
_audit_creation_date             2021-06-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H12 F4 N2 O'
_chemical_formula_sum            'C16 H12 F4 N2 O'
_chemical_formula_weight         324.28
_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'
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'
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      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                   15.5988(5)
_cell_length_b                   8.2297(4)
_cell_length_c                   12.1249(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.812(4)
_cell_angle_gamma                90
_cell_volume                     1523.56(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2307
_cell_measurement_temperature    295(7)
_cell_measurement_theta_max      71.7130
_cell_measurement_theta_min      5.7760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.105a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11261
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.552
_diffrn_reflns_theta_min         2.894
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295(7)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00 -55.00   0.50    4.00    --  -46.57-161.00 -49.00   60
  2  ω    -73.00 -48.00   0.50    4.00    --  -46.57 117.00-170.00   50
  3  ω     65.00 110.00   0.50    4.00    --   46.57 161.00 -20.00   90
  4  ω     16.00  89.00   0.50    4.00    --   46.57-117.00 101.00  146
  5  ω   -109.00 -30.00   0.50    9.00    -- -102.00 117.00-170.00  158
  6  ω   -119.00 -85.00   0.50    9.00    -- -102.00-117.00 101.00   68
  7  ω   -128.00-103.00   0.50    9.00    -- -102.00-161.00 -49.00   50
  8  ω     70.00 102.00   0.50    9.00    --  104.25-117.00 101.00   64
  9  ω    128.00 154.00   0.50    9.00    --  104.25 161.00 -20.00   52
 10  ω   -119.00 -77.00   0.50    4.00    --  -46.57-125.00 -30.00   84
 11  ω   -119.00 -79.00   0.50    4.00    --  -46.57-125.00 150.00   80
 12  ω    -28.00  28.00   0.50    4.00    --   46.57 -19.00 -30.00  112
 13  ω    -24.00  29.00   0.50    4.00    --   46.57 -19.00-120.00  106
 14  ω    -67.00 -30.00   0.50    9.00    -- -102.00  61.00 150.00   74
 15  ω   -112.00 -72.00   0.50    9.00    -- -102.00 125.00 -60.00   80
 16  ω    -66.00 -29.00   0.50    9.00    -- -102.00  61.00   0.00   74
 17  ω    -69.00 -29.00   0.50    9.00    -- -102.00  61.00-150.00   80
 18  ω    -63.00 -29.00   0.50    9.00    -- -102.00  61.00  90.00   68
 19  ω    -69.00 -30.00   0.50    9.00    -- -102.00  61.00  60.00   78
 20  ω     33.00  59.00   0.50    9.00    --  104.25 -61.00 150.00   52
 21  ω     48.00  73.00   0.50    9.00    --  104.25 -61.00-120.00   50
 22  ω     33.00 112.00   0.50    9.00    --  104.25-125.00 150.00  158
 23  ω     93.00 170.00   0.50    9.00    --  104.25  30.00   0.00  154
 24  ω    128.00 153.00   0.50    9.00    --  104.25  45.00 -60.00   50
 25  ω     96.00 154.00   0.50    9.00    --  104.25  45.00 -90.00  116
 26  ω     44.00  73.00   0.50    9.00    --  104.25 -61.00 -90.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0116452000
_diffrn_orient_matrix_UB_12      -0.1479188000
_diffrn_orient_matrix_UB_13      -0.0795728000
_diffrn_orient_matrix_UB_21      0.0036688000
_diffrn_orient_matrix_UB_22      0.1128452000
_diffrn_orient_matrix_UB_23      -0.1003607000
_diffrn_orient_matrix_UB_31      0.1001082000
_diffrn_orient_matrix_UB_32      -0.0212534000
_diffrn_orient_matrix_UB_33      0.0211064000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1541
_reflns_number_total             3031
_reflns_odcompleteness_completeness 98.98
_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 1.171.41.105a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.105a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.105a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.307
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3031
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.0722
_refine_ls_restrained_S_all      1.307
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2044
_refine_ls_wR_factor_ref         0.2354
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
2.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C6(H6), C16(H16), C15(H15), C2(H2), C5(H5), C4(H4), C3(H3)
;
_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 0.75473(15) 0.7820(3) 0.4460(2) 0.0899(8) Uani 1 1 d . . . . .
N2 N 0.74463(16) 0.6262(3) 0.2862(2) 0.0659(7) Uani 1 1 d . . . . .
F4 F 0.91846(17) 0.6212(5) 0.5079(2) 0.1449(12) Uani 1 1 d . . . . .
N1 N 0.7545(2) 0.2753(4) 0.2642(2) 0.0806(9) Uani 1 1 d . . . . .
C12 C 0.77243(19) 0.3746(4) 0.1858(3) 0.0646(8) Uani 1 1 d . . . . .
C1 C 0.65241(19) 0.6385(4) 0.2426(3) 0.0665(8) Uani 1 1 d . . . . .
F1 F 0.9051(2) 0.8643(5) 0.2717(5) 0.1669(15) Uani 1 1 d . . . . .
F2 F 1.01916(17) 0.7852(5) 0.3959(4) 0.1878(18) Uani 1 1 d . . . . .
C7 C 0.7865(2) 0.7017(5) 0.3804(3) 0.0729(9) Uani 1 1 d . . . . .
C13 C 0.7662(2) 0.3295(4) 0.0748(3) 0.0730(9) Uani 1 1 d . . . . .
H13 H 0.778260 0.402987 0.021789 0.088 Uiso 1 1 calc R U . . .
C11 C 0.8040(2) 0.5411(4) 0.2247(3) 0.0732(10) Uani 1 1 d . . . . .
H11 H 0.812243 0.606630 0.160172 0.088 Uiso 1 1 calc R U . . .
F3 F 0.9216(2) 0.9350(6) 0.4448(5) 0.242(3) Uani 1 1 d . . . . .
C14 C 0.7414(3) 0.1717(5) 0.0450(3) 0.0843(11) Uani 1 1 d . . . . .
H14 H 0.737290 0.136164 -0.028734 0.101 Uiso 1 1 calc R U . . .
C6 C 0.6217(2) 0.6532(4) 0.1287(3) 0.0785(10) Uani 1 1 d . . . . .
H6 H 0.660380 0.652947 0.079642 0.094 Uiso 1 1 calc R U . . .
C8 C 0.8836(2) 0.6676(6) 0.3939(3) 0.0914(13) Uani 1 1 d . . . . .
C16 C 0.7298(3) 0.1252(5) 0.2318(3) 0.0898(11) Uani 1 1 d . . . . .
H16 H 0.716443 0.054300 0.285599 0.108 Uiso 1 1 calc R U . . .
C15 C 0.7230(3) 0.0688(5) 0.1251(3) 0.0903(11) Uani 1 1 d . . . . .
H15 H 0.706060 -0.037858 0.107071 0.108 Uiso 1 1 calc R U . . .
C2 C 0.5951(2) 0.6335(6) 0.3148(3) 0.0945(13) Uani 1 1 d . . . . .
H2 H 0.615899 0.620019 0.391764 0.113 Uiso 1 1 calc R U . . .
C10 C 0.8902(2) 0.5337(6) 0.3135(4) 0.1065(15) Uani 1 1 d . . . . .
H10A H 0.896129 0.429546 0.351767 0.128 Uiso 1 1 calc R U . . .
H10B H 0.940165 0.549787 0.278560 0.128 Uiso 1 1 calc R U . . .
C5 C 0.5331(3) 0.6682(5) 0.0875(4) 0.0998(13) Uani 1 1 d . . . . .
H5 H 0.512010 0.678979 0.010398 0.120 Uiso 1 1 calc R U . . .
C9 C 0.9326(3) 0.8227(10) 0.3777(7) 0.144(3) Uani 1 1 d . . . . .
C4 C 0.4755(3) 0.6674(7) 0.1593(5) 0.1196(17) Uani 1 1 d . . . . .
H4 H 0.415769 0.679708 0.131148 0.144 Uiso 1 1 calc R U . . .
C3 C 0.5065(3) 0.6485(7) 0.2722(4) 0.1257(19) Uani 1 1 d . . . . .
H3 H 0.467549 0.645776 0.320813 0.151 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 C7 1.215(4) . ?
N2 C1 1.431(4) . ?
N2 C7 1.345(4) . ?
N2 C11 1.479(4) . ?
F4 C8 1.430(5) . ?
N1 C12 1.326(4) . ?
N1 C16 1.329(5) . ?
C12 C13 1.380(4) . ?
C12 C11 1.499(5) . ?
C1 C6 1.372(5) . ?
C1 C2 1.374(5) . ?
F1 C9 1.315(8) . ?
F2 C9 1.358(6) . ?
C7 C8 1.517(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.382(5) . ?
C11 H11 0.9800 . ?
C11 C10 1.542(5) . ?
F3 C9 1.266(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.362(5) . ?
C6 H6 0.9300 . ?
C6 C5 1.375(5) . ?
C8 C10 1.488(6) . ?
C8 C9 1.520(9) . ?
C16 H16 0.9300 . ?
C16 C15 1.358(6) . ?
C15 H15 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.378(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C5 H5 0.9300 . ?
C5 C4 1.372(6) . ?
C4 H4 0.9300 . ?
C4 C3 1.364(7) . ?
C3 H3 0.9300 . ?

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 N2 C11 122.2(3) . . ?
C7 N2 C1 123.9(3) . . ?
C7 N2 C11 113.7(3) . . ?
C12 N1 C16 116.9(3) . . ?
N1 C12 C13 123.3(3) . . ?
N1 C12 C11 116.3(3) . . ?
C13 C12 C11 120.4(3) . . ?
C6 C1 N2 119.8(3) . . ?
C6 C1 C2 120.3(3) . . ?
C2 C1 N2 119.9(3) . . ?
O1 C7 N2 127.9(3) . . ?
O1 C7 C8 124.2(3) . . ?
N2 C7 C8 107.9(3) . . ?
C12 C13 H13 121.0 . . ?
C12 C13 C14 117.9(3) . . ?
C14 C13 H13 121.0 . . ?
N2 C11 C12 113.1(3) . . ?
N2 C11 H11 109.9 . . ?
N2 C11 C10 102.3(3) . . ?
C12 C11 H11 109.9 . . ?
C12 C11 C10 111.5(3) . . ?
C10 C11 H11 109.9 . . ?
C13 C14 H14 120.5 . . ?
C15 C14 C13 119.0(3) . . ?
C15 C14 H14 120.5 . . ?
C1 C6 H6 120.3 . . ?
C1 C6 C5 119.4(4) . . ?
C5 C6 H6 120.3 . . ?
F4 C8 C7 109.1(3) . . ?
F4 C8 C10 111.9(4) . . ?
F4 C8 C9 104.3(4) . . ?
C7 C8 C9 110.4(4) . . ?
C10 C8 C7 105.5(3) . . ?
C10 C8 C9 115.7(4) . . ?
N1 C16 H16 118.0 . . ?
N1 C16 C15 124.1(4) . . ?
C15 C16 H16 118.0 . . ?
C14 C15 H15 120.6 . . ?
C16 C15 C14 118.7(4) . . ?
C16 C15 H15 120.6 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.4(4) . . ?
C3 C2 H2 120.3 . . ?
C11 C10 H10A 110.7 . . ?
C11 C10 H10B 110.7 . . ?
C8 C10 C11 105.2(3) . . ?
C8 C10 H10A 110.7 . . ?
C8 C10 H10B 110.7 . . ?
H10A C10 H10B 108.8 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(4) . . ?
C4 C5 H5 119.7 . . ?
F1 C9 F2 109.4(6) . . ?
F1 C9 C8 105.8(4) . . ?
F2 C9 C8 107.3(6) . . ?
F3 C9 F1 112.3(8) . . ?
F3 C9 F2 108.8(5) . . ?
F3 C9 C8 113.1(6) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 H4 120.2 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?

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 C7 C8 F4 45.7(6) . . . . ?
O1 C7 C8 C10 166.0(4) . . . . ?
O1 C7 C8 C9 -68.4(6) . . . . ?
N2 C1 C6 C5 -178.7(3) . . . . ?
N2 C1 C2 C3 178.7(4) . . . . ?
N2 C7 C8 F4 -133.5(3) . . . . ?
N2 C7 C8 C10 -13.2(5) . . . . ?
N2 C7 C8 C9 112.4(4) . . . . ?
N2 C11 C10 C8 -22.7(4) . . . . ?
F4 C8 C10 C11 140.6(4) . . . . ?
F4 C8 C9 F1 177.0(4) . . . . ?
F4 C8 C9 F2 60.2(6) . . . . ?
F4 C8 C9 F3 -59.7(7) . . . . ?
N1 C12 C13 C14 -1.2(5) . . . . ?
N1 C12 C11 N2 -53.7(4) . . . . ?
N1 C12 C11 C10 60.9(4) . . . . ?
N1 C16 C15 C14 -0.8(7) . . . . ?
C12 N1 C16 C15 0.7(6) . . . . ?
C12 C13 C14 C15 1.0(5) . . . . ?
C12 C11 C10 C8 -143.8(3) . . . . ?
C1 N2 C7 O1 4.6(6) . . . . ?
C1 N2 C7 C8 -176.3(3) . . . . ?
C1 N2 C11 C12 -50.0(4) . . . . ?
C1 N2 C11 C10 -170.0(3) . . . . ?
C1 C6 C5 C4 -0.5(6) . . . . ?
C1 C2 C3 C4 0.3(8) . . . . ?
C7 N2 C1 C6 139.3(4) . . . . ?
C7 N2 C1 C2 -41.5(5) . . . . ?
C7 N2 C11 C12 135.6(3) . . . . ?
C7 N2 C11 C10 15.6(4) . . . . ?
C7 C8 C10 C11 22.2(5) . . . . ?
C7 C8 C9 F1 -66.0(5) . . . . ?
C7 C8 C9 F2 177.3(4) . . . . ?
C7 C8 C9 F3 57.3(7) . . . . ?
C13 C12 C11 N2 128.5(3) . . . . ?
C13 C12 C11 C10 -116.9(4) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C11 N2 C1 C6 -34.6(5) . . . . ?
C11 N2 C1 C2 144.6(4) . . . . ?
C11 N2 C7 O1 178.9(4) . . . . ?
C11 N2 C7 C8 -2.0(4) . . . . ?
C11 C12 C13 C14 176.5(3) . . . . ?
C6 C1 C2 C3 -2.1(6) . . . . ?
C6 C5 C4 C3 -1.2(8) . . . . ?
C16 N1 C12 C13 0.3(5) . . . . ?
C16 N1 C12 C11 -177.4(3) . . . . ?
C2 C1 C6 C5 2.1(6) . . . . ?
C10 C8 C9 F1 53.6(6) . . . . ?
C10 C8 C9 F2 -63.1(7) . . . . ?
C10 C8 C9 F3 176.9(5) . . . . ?
C5 C4 C3 C2 1.3(9) . . . . ?
C9 C8 C10 C11 -100.1(5) . . . . ?

_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 1.838
_oxdiff_exptl_absorpt_empirical_full_min 0.752
