# Supplementary Information (SI) 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. 
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#######################################################################

data_FC3
_database_code_depnum_ccdc_archive 'CCDC 2375635'
loop_
_audit_author_name
_audit_author_address
CF
;Feng Chia University
Taiwan
;
_audit_update_record             
;
2024-08-05 deposited with the CCDC.	2024-10-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C11 H8 F3 N O2'
_chemical_formula_sum            'C11 H8 F3 N O2'
_chemical_melting_point          ?

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            colourless
_diffrn_ambient_temperature      150(2)
_chemical_formula_weight         243.18

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.4584(11)
_cell_length_b                   9.7135(15)
_cell_length_c                   14.139(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.033(6)
_cell_angle_gamma                90
_cell_volume                     1024.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9856
_cell_measurement_theta_min      2.544
_cell_measurement_theta_max      27.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_F_000             496
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.145
_shelx_estimated_absorpt_T_min   0.932
_shelx_estimated_absorpt_T_max   0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6389
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34372
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.731
_diffrn_reflns_theta_max         27.697
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4756
_reflns_number_gt                4378
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.884
_reflns_Friedel_fraction_max     0.989
_reflns_Friedel_fraction_full    0.997

_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. 
;

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0697P)²+2.0971P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1867 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.0(2)
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_h-m   P2(1)
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4756
_refine_ls_number_parameters     309
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0763
_refine_ls_wR_factor_ref         0.2073
_refine_ls_wR_factor_gt          0.2030
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.161
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 -0.1282(8) 0.5947(5) 0.2662(3) 0.0637(14) Uani 1 1 d . . . . .
F2 F -0.2562(7) 0.6069(5) 0.1306(4) 0.0680(15) Uani 1 1 d . . . . .
F3 F 0.0098(7) 0.6818(4) 0.1488(4) 0.0604(13) Uani 1 1 d . . . . .
O1 O 0.0322(8) 0.3304(5) 0.4142(3) 0.0468(12) Uani 1 1 d . . . . .
O2 O -0.0169(8) 0.4152(6) 0.0610(4) 0.0504(13) Uani 1 1 d . . . . .
N1 N 0.0205(7) 0.3601(5) 0.2187(3) 0.0295(10) Uani 1 1 d . . . . .
H1A H 0.006386 0.394995 0.275558 0.030(18) Uiso 1 1 calc R . . . .
C1 C 0.0878(10) 0.2152(7) 0.3956(4) 0.0353(13) Uani 1 1 d . . . . .
C2 C 0.1443(11) 0.1040(8) 0.4668(5) 0.0440(16) Uani 1 1 d . . . . .
H2A H 0.043717 0.080687 0.508629 0.053 Uiso 1 1 calc R U . . .
H2B H 0.247087 0.135762 0.506261 0.053 Uiso 1 1 calc R U . . .
C3 C 0.1975(11) -0.0218(7) 0.4071(5) 0.0421(15) Uani 1 1 d . . . . .
H3A H 0.321255 -0.051590 0.423154 0.051 Uiso 1 1 calc R U . . .
H3B H 0.114688 -0.099687 0.417821 0.051 Uiso 1 1 calc R U . . .
C4 C 0.1842(8) 0.0267(6) 0.3064(4) 0.0292(12) Uani 1 1 d . . . . .
C5 C 0.1211(7) 0.1598(6) 0.3009(4) 0.0258(11) Uani 1 1 d . . . . .
C6 C 0.0909(8) 0.2268(6) 0.2142(4) 0.0267(11) Uani 1 1 d . . . . .
C7 C 0.1330(9) 0.1559(7) 0.1312(4) 0.0317(12) Uani 1 1 d . . . . .
H7A H 0.115597 0.197995 0.071138 0.038 Uiso 1 1 calc R U . . .
C8 C 0.2010(8) 0.0225(7) 0.1383(5) 0.0347(13) Uani 1 1 d . . . . .
H8A H 0.230685 -0.024916 0.081930 0.042 Uiso 1 1 calc R U . . .
C9 C 0.2268(8) -0.0436(6) 0.2242(5) 0.0334(13) Uani 1 1 d . . . . .
H9A H 0.272591 -0.134792 0.226915 0.040 Uiso 1 1 calc R U . . .
C10 C -0.0280(8) 0.4407(6) 0.1446(5) 0.0321(12) Uani 1 1 d . . . . .
C11 C -0.1035(9) 0.5815(7) 0.1746(5) 0.0405(15) Uani 1 1 d . . . . .
F4 F 0.3812(8) 0.5967(5) 0.2310(3) 0.0601(13) Uani 1 1 d . . . . .
F5 F 0.2413(7) 0.6027(5) 0.3605(4) 0.0629(14) Uani 1 1 d . . . . .
F6 F 0.5095(7) 0.6765(5) 0.3543(4) 0.0612(13) Uani 1 1 d . . . . .
O3 O 0.5467(8) 0.3306(5) 0.0853(3) 0.0439(12) Uani 1 1 d . . . . .
O4 O 0.4733(8) 0.4069(6) 0.4370(3) 0.0513(14) Uani 1 1 d . . . . .
N2 N 0.5252(7) 0.3586(5) 0.2810(3) 0.0264(10) Uani 1 1 d . . . . .
H2C H 0.519024 0.395924 0.224288 0.04(2) Uiso 1 1 calc R . . . .
C12 C 0.5999(9) 0.2145(7) 0.1043(4) 0.0329(12) Uani 1 1 d . . . . .
C13 C 0.6512(10) 0.1048(8) 0.0336(4) 0.0397(14) Uani 1 1 d . . . . .
H13A H 0.754240 0.135516 -0.004225 0.048 Uiso 1 1 calc R U . . .
H13B H 0.549225 0.084026 -0.009878 0.048 Uiso 1 1 calc R U . . .
C14 C 0.7019(9) -0.0232(7) 0.0930(5) 0.0367(14) Uani 1 1 d . . . . .
H14A H 0.618413 -0.100138 0.079299 0.044 Uiso 1 1 calc R U . . .
H14B H 0.825600 -0.053446 0.079537 0.044 Uiso 1 1 calc R U . . .
C15 C 0.6873(7) 0.0231(6) 0.1946(4) 0.0275(11) Uani 1 1 d . . . . .
C16 C 0.6231(7) 0.1579(6) 0.1992(4) 0.0247(11) Uani 1 1 d . . . . .
C17 C 0.5924(8) 0.2227(6) 0.2867(4) 0.0259(11) Uani 1 1 d . . . . .
C18 C 0.6303(8) 0.1508(6) 0.3689(4) 0.0305(12) Uani 1 1 d . . . . .
H18A H 0.612184 0.192463 0.428735 0.037 Uiso 1 1 calc R U . . .
C19 C 0.6959(8) 0.0160(7) 0.3633(5) 0.0344(13) Uani 1 1 d . . . . .
H19A H 0.722398 -0.032230 0.420288 0.041 Uiso 1 1 calc R U . . .
C20 C 0.7235(8) -0.0499(6) 0.2777(5) 0.0322(12) Uani 1 1 d . . . . .
H20A H 0.765822 -0.142122 0.275833 0.039 Uiso 1 1 calc R U . . .
C21 C 0.4699(9) 0.4365(7) 0.3535(5) 0.0341(13) Uani 1 1 d . . . . .
C22 C 0.3996(9) 0.5796(7) 0.3247(5) 0.0367(14) 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 C11 1.317(8) . ?
F2 C11 1.311(8) . ?
F3 C11 1.344(8) . ?
O1 C1 1.224(8) . ?
O2 C10 1.211(8) . ?
N1 C10 1.353(8) . ?
N1 C6 1.399(7) . ?
N1 H1A 0.8800 . ?
C1 C5 1.469(8) . ?
C1 C2 1.530(9) . ?
C2 C3 1.540(11) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.501(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.378(8) . ?
C4 C9 1.390(9) . ?
C5 C6 1.403(8) . ?
C6 C7 1.400(8) . ?
C7 C8 1.394(9) . ?
C7 H7A 0.9500 . ?
C8 C9 1.384(10) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.542(9) . ?
F4 C22 1.339(8) . ?
F5 C22 1.312(8) . ?
F6 C22 1.312(8) . ?
O3 C12 1.224(8) . ?
O4 C21 1.216(8) . ?
N2 C21 1.345(8) . ?
N2 C17 1.414(7) . ?
N2 H2C 0.8800 . ?
C12 C16 1.457(8) . ?
C12 C13 1.516(9) . ?
C13 C14 1.543(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.511(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.396(8) . ?
C15 C20 1.395(9) . ?
C16 C17 1.410(8) . ?
C17 C18 1.380(8) . ?
C18 C19 1.401(9) . ?
C18 H18A 0.9500 . ?
C19 C20 1.387(9) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9500 . ?
C21 C22 1.538(9) . ?

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
C10 N1 C6 126.5(5) . . ?
C10 N1 H1A 116.7 . . ?
C6 N1 H1A 116.7 . . ?
O1 C1 C5 126.5(6) . . ?
O1 C1 C2 126.5(6) . . ?
C5 C1 C2 107.0(6) . . ?
C1 C2 C3 105.7(5) . . ?
C1 C2 H2A 110.6 . . ?
C3 C2 H2A 110.6 . . ?
C1 C2 H2B 110.6 . . ?
C3 C2 H2B 110.6 . . ?
H2A C2 H2B 108.7 . . ?
C4 C3 C2 104.9(5) . . ?
C4 C3 H3A 110.8 . . ?
C2 C3 H3A 110.8 . . ?
C4 C3 H3B 110.8 . . ?
C2 C3 H3B 110.8 . . ?
H3A C3 H3B 108.8 . . ?
C5 C4 C9 119.8(6) . . ?
C5 C4 C3 111.4(6) . . ?
C9 C4 C3 128.8(6) . . ?
C4 C5 C6 122.3(5) . . ?
C4 C5 C1 110.8(5) . . ?
C6 C5 C1 126.9(6) . . ?
N1 C6 C7 125.7(5) . . ?
N1 C6 C5 116.3(5) . . ?
C7 C6 C5 118.0(5) . . ?
C8 C7 C6 119.0(6) . . ?
C8 C7 H7A 120.5 . . ?
C6 C7 H7A 120.5 . . ?
C9 C8 C7 122.6(6) . . ?
C9 C8 H8A 118.7 . . ?
C7 C8 H8A 118.7 . . ?
C8 C9 C4 118.4(6) . . ?
C8 C9 H9A 120.8 . . ?
C4 C9 H9A 120.8 . . ?
O2 C10 N1 128.0(6) . . ?
O2 C10 C11 118.8(6) . . ?
N1 C10 C11 113.2(5) . . ?
F2 C11 F1 108.2(6) . . ?
F2 C11 F3 106.3(6) . . ?
F1 C11 F3 107.2(6) . . ?
F2 C11 C10 110.8(6) . . ?
F1 C11 C10 114.5(6) . . ?
F3 C11 C10 109.5(6) . . ?
C21 N2 C17 126.5(5) . . ?
C21 N2 H2C 116.8 . . ?
C17 N2 H2C 116.8 . . ?
O3 C12 C16 125.6(6) . . ?
O3 C12 C13 126.0(6) . . ?
C16 C12 C13 108.4(5) . . ?
C12 C13 C14 105.6(5) . . ?
C12 C13 H13A 110.6 . . ?
C14 C13 H13A 110.6 . . ?
C12 C13 H13B 110.6 . . ?
C14 C13 H13B 110.6 . . ?
H13A C13 H13B 108.7 . . ?
C15 C14 C13 104.9(5) . . ?
C15 C14 H14A 110.8 . . ?
C13 C14 H14A 110.8 . . ?
C15 C14 H14B 110.8 . . ?
C13 C14 H14B 110.8 . . ?
H14A C14 H14B 108.8 . . ?
C16 C15 C20 119.9(6) . . ?
C16 C15 C14 110.7(6) . . ?
C20 C15 C14 129.3(6) . . ?
C15 C16 C17 121.4(5) . . ?
C15 C16 C12 110.2(5) . . ?
C17 C16 C12 128.4(5) . . ?
C18 C17 C16 118.6(5) . . ?
C18 C17 N2 126.0(5) . . ?
C16 C17 N2 115.4(5) . . ?
C17 C18 C19 119.5(6) . . ?
C17 C18 H18A 120.3 . . ?
C19 C18 H18A 120.3 . . ?
C20 C19 C18 122.6(6) . . ?
C20 C19 H19A 118.7 . . ?
C18 C19 H19A 118.7 . . ?
C19 C20 C15 118.1(5) . . ?
C19 C20 H20A 121.0 . . ?
C15 C20 H20A 121.0 . . ?
O4 C21 N2 127.3(6) . . ?
O4 C21 C22 118.1(6) . . ?
N2 C21 C22 114.5(5) . . ?
F6 C22 F5 108.4(6) . . ?
F6 C22 F4 106.2(6) . . ?
F5 C22 F4 106.4(6) . . ?
F6 C22 C21 110.9(6) . . ?
F5 C22 C21 110.9(6) . . ?
F4 C22 C21 113.7(5) . . ?

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 C1 C2 C3 178.3(7) . . . . ?
C5 C1 C2 C3 -4.3(8) . . . . ?
C1 C2 C3 C4 4.6(8) . . . . ?
C2 C3 C4 C5 -3.5(8) . . . . ?
C2 C3 C4 C9 176.2(6) . . . . ?
C9 C4 C5 C6 2.5(9) . . . . ?
C3 C4 C5 C6 -177.8(5) . . . . ?
C9 C4 C5 C1 -179.0(5) . . . . ?
C3 C4 C5 C1 0.8(7) . . . . ?
O1 C1 C5 C4 179.7(7) . . . . ?
C2 C1 C5 C4 2.3(7) . . . . ?
O1 C1 C5 C6 -1.9(11) . . . . ?
C2 C1 C5 C6 -179.2(6) . . . . ?
C10 N1 C6 C7 3.8(10) . . . . ?
C10 N1 C6 C5 -176.2(5) . . . . ?
C4 C5 C6 N1 177.8(5) . . . . ?
C1 C5 C6 N1 -0.5(9) . . . . ?
C4 C5 C6 C7 -2.2(9) . . . . ?
C1 C5 C6 C7 179.5(6) . . . . ?
N1 C6 C7 C8 -179.4(6) . . . . ?
C5 C6 C7 C8 0.6(9) . . . . ?
C6 C7 C8 C9 0.7(9) . . . . ?
C7 C8 C9 C4 -0.4(9) . . . . ?
C5 C4 C9 C8 -1.2(9) . . . . ?
C3 C4 C9 C8 179.2(6) . . . . ?
C6 N1 C10 O2 -1.7(11) . . . . ?
C6 N1 C10 C11 179.1(6) . . . . ?
O2 C10 C11 F2 50.5(8) . . . . ?
N1 C10 C11 F2 -130.2(6) . . . . ?
O2 C10 C11 F1 173.2(7) . . . . ?
N1 C10 C11 F1 -7.5(8) . . . . ?
O2 C10 C11 F3 -66.4(8) . . . . ?
N1 C10 C11 F3 112.9(6) . . . . ?
O3 C12 C13 C14 -178.0(7) . . . . ?
C16 C12 C13 C14 1.6(7) . . . . ?
C12 C13 C14 C15 -3.3(7) . . . . ?
C13 C14 C15 C16 4.0(7) . . . . ?
C13 C14 C15 C20 -177.8(6) . . . . ?
C20 C15 C16 C17 -0.5(8) . . . . ?
C14 C15 C16 C17 177.9(5) . . . . ?
C20 C15 C16 C12 178.5(5) . . . . ?
C14 C15 C16 C12 -3.2(7) . . . . ?
O3 C12 C16 C15 -179.5(6) . . . . ?
C13 C12 C16 C15 0.9(7) . . . . ?
O3 C12 C16 C17 -0.7(10) . . . . ?
C13 C12 C16 C17 179.8(6) . . . . ?
C15 C16 C17 C18 1.2(8) . . . . ?
C12 C16 C17 C18 -177.5(6) . . . . ?
C15 C16 C17 N2 -179.2(5) . . . . ?
C12 C16 C17 N2 2.1(8) . . . . ?
C21 N2 C17 C18 -7.1(10) . . . . ?
C21 N2 C17 C16 173.4(5) . . . . ?
C16 C17 C18 C19 -0.7(9) . . . . ?
N2 C17 C18 C19 179.7(6) . . . . ?
C17 C18 C19 C20 -0.5(9) . . . . ?
C18 C19 C20 C15 1.3(9) . . . . ?
C16 C15 C20 C19 -0.8(8) . . . . ?
C14 C15 C20 C19 -178.8(6) . . . . ?
C17 N2 C21 O4 2.9(11) . . . . ?
C17 N2 C21 C22 -178.7(5) . . . . ?
O4 C21 C22 F6 67.8(8) . . . . ?
N2 C21 C22 F6 -110.7(7) . . . . ?
O4 C21 C22 F5 -52.6(9) . . . . ?
N2 C21 C22 F5 128.8(6) . . . . ?
O4 C21 C22 F4 -172.6(7) . . . . ?
N2 C21 C22 F4 8.8(8) . . . . ?

_refine_diff_density_max         0.543
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.106



