# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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_ngl32
_database_code_depnum_ccdc_archive 'CCDC 1904764'
loop_
_audit_author_name
_audit_author_address
'Guangle Niu'
;The Hong Kong University of Science and Technology
China
;
_audit_update_record             
;
2020-06-09 deposited with the CCDC.	2020-12-23 downloaded from the CCDC.
;
_audit_creation_date             2020-06-09
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H16 F6 N2'
_chemical_formula_sum            'C21 H16 F6 N2'
_chemical_formula_weight         410.36
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.5369(6)
_cell_length_b                   9.6061(7)
_cell_length_c                   12.6366(8)
_cell_angle_alpha                69.429(3)
_cell_angle_beta                 88.085(4)
_cell_angle_gamma                84.076(3)
_cell_volume                     965.02(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    271(2)
_cell_measurement_theta_max      72.34
_cell_measurement_theta_min      4.94
_shelx_estimated_absorpt_T_max   0.854
_shelx_estimated_absorpt_T_min   0.613
_exptl_absorpt_coefficient_mu    1.084
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0766
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16719
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        64.998
_diffrn_reflns_theta_max         64.998
_diffrn_reflns_theta_min         4.941
_diffrn_ambient_temperature      270.95
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2502
_reflns_number_total             3154
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    ?
_refine_diff_density_max         0.164
_refine_diff_density_min         -0.143
_refine_diff_density_rms         0.026
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         3154
_refine_ls_number_restraints     307
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0504
_refine_ls_restrained_S_all      1.402
_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)+(0.0610P)²+0.0516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1391
_refine_ls_wR_factor_ref         0.1464
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F3'-F1'
 2.2 with sigma of 0.01
 F1'-F2'
 2.2 with sigma of 0.01
 F3'-F2'
 2.2 with sigma of 0.01
 F3-F2
 2.2 with sigma of 0.01
 F2-F3
 2.2 with sigma of 0.01
 F3-F1
 2.2 with sigma of 0.01
 F1-F2
 2.2 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F1' \\sim F2' \\sim F3' \\sim C21: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C20: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C20 \\sim F6 \\sim F4' \\sim F5' \\sim F4 \\sim F5 \\sim F6': within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F1') \\sim
Ueq, Uanis(F2') \\sim Ueq, Uanis(F3') \\sim Ueq, Uanis(C21) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F4') \\sim Ueq, Uanis(F5')
\\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F5) \\sim Ueq, Uanis(F6') \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 F1, F2, F3, F1', F2', F3', C21
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C20
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C20, F6, F4', F5', F4, F5, F6'
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(F1')=Sof(F2')=Sof(F3')=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
 Sof(F4')=Sof(F5')=Sof(F6')=1-FVAR(2)
 Sof(F6)=Sof(F4)=Sof(F5)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C11(H11), C10(H10), C9(H9), C7(H7), C8(H8), C17(H17), C19(H19),
 C5(H5), C4(H4)
6.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.0338(3) 0.7120(8) 0.5408(2) 0.1297(18) Uani 0.605(7) 1 d D U P A 1
F2 F 0.1432(7) 0.5030(3) 0.6349(4) 0.1294(16) Uani 0.605(7) 1 d D U P A 1
F3 F 0.2059(7) 0.7006(8) 0.6571(5) 0.1335(18) Uani 0.605(7) 1 d D U P A 1
F1' F 0.0923(10) 0.7951(6) 0.5591(6) 0.137(2) Uani 0.395(7) 1 d D U P A 2
F2' F 0.0596(8) 0.5709(11) 0.5800(7) 0.127(2) Uani 0.395(7) 1 d D U P A 2
F3' F 0.2284(7) 0.6129(10) 0.6771(4) 0.113(2) Uani 0.395(7) 1 d D U P A 2
C15 C 0.50408(18) 0.69588(17) 0.31608(12) 0.0560(4) Uani 1 1 d . . . . .
H15 H 0.5758 0.7093 0.2571 0.067 Uiso 1 1 calc R . . . .
N2 N 0.5734(2) 0.5839(2) 0.08464(14) 0.0866(5) Uani 1 1 d . . . . .
C20 C 0.6320(2) 0.8837(2) 0.36734(17) 0.0742(5) Uani 1 1 d . U . . .
C16 C 0.50841(19) 0.77838(17) 0.38620(13) 0.0585(4) Uani 1 1 d . . . . .
C14 C 0.39383(17) 0.59310(16) 0.33260(11) 0.0523(4) Uani 1 1 d . . . . .
C12 C 0.39373(18) 0.50265(17) 0.25915(12) 0.0551(4) Uani 1 1 d . . . . .
C11 C 0.31250(19) 0.38199(18) 0.27963(13) 0.0600(4) Uani 1 1 d . . . . .
H11 H 0.2523 0.3563 0.3452 0.072 Uiso 1 1 calc R . . . .
C10 C 0.30797(19) 0.28972(18) 0.21309(13) 0.0612(4) Uani 1 1 d . . . . .
H10 H 0.3639 0.3123 0.1457 0.073 Uiso 1 1 calc R . . . .
C9 C 0.22439(19) 0.17060(18) 0.24578(13) 0.0623(4) Uani 1 1 d . . . . .
H9 H 0.1703 0.1544 0.3135 0.075 Uiso 1 1 calc R . . . .
C6 C 0.20631(18) 0.06415(17) 0.19117(13) 0.0575(4) Uani 1 1 d . . . . .
C7 C 0.2851(2) 0.06318(18) 0.09249(13) 0.0629(4) Uani 1 1 d . . . . .
H7 H 0.3558 0.1337 0.0598 0.075 Uiso 1 1 calc R . . . .
C8 C 0.2612(2) -0.03842(19) 0.04252(14) 0.0660(4) Uani 1 1 d . . . . .
H8 H 0.3165 -0.0357 -0.0227 0.079 Uiso 1 1 calc R . . . .
C3 C 0.1545(2) -0.14704(17) 0.08780(14) 0.0624(4) Uani 1 1 d . . . . .
N1 N 0.1288(2) -0.24804(17) 0.03764(14) 0.0810(5) Uani 1 1 d . . . . .
C2 C 0.2038(3) -0.2452(3) -0.06616(18) 0.0922(6) Uani 1 1 d . . . . .
H2A H 0.1689 -0.1537 -0.1255 0.138 Uiso 1 1 calc GR . . . .
H2B H 0.1769 -0.3284 -0.0849 0.138 Uiso 1 1 calc GR . . . .
H2C H 0.3159 -0.2516 -0.0576 0.138 Uiso 1 1 calc GR . . . .
C17 C 0.40195(18) 0.76343(18) 0.47296(13) 0.0611(4) Uani 1 1 d . . . . .
H17 H 0.4051 0.8193 0.5198 0.073 Uiso 1 1 calc R . . . .
C18 C 0.29001(18) 0.66308(18) 0.48884(12) 0.0586(4) Uani 1 1 d . . . . .
C21 C 0.1692(2) 0.6500(3) 0.57899(16) 0.0775(5) Uani 1 1 d . U . . .
C19 C 0.28602(17) 0.57890(18) 0.42003(12) 0.0575(4) Uani 1 1 d . . . . .
H19 H 0.2103 0.5119 0.4323 0.069 Uiso 1 1 calc R . . . .
C13 C 0.4921(2) 0.54654(19) 0.16115(13) 0.0633(4) Uani 1 1 d . . . . .
C5 C 0.1035(2) -0.04553(18) 0.23645(14) 0.0642(4) Uani 1 1 d . . . . .
H5 H 0.0503 -0.0497 0.3028 0.077 Uiso 1 1 calc R . . . .
C4 C 0.0775(2) -0.14754(18) 0.18725(15) 0.0665(5) Uani 1 1 d . . . . .
H4 H 0.0073 -0.2183 0.2206 0.080 Uiso 1 1 calc R . . . .
C1 C 0.0105(3) -0.3515(2) 0.0811(2) 0.0998(7) Uani 1 1 d . . . . .
H1A H 0.0349 -0.4123 0.1582 0.150 Uiso 1 1 calc GR . . . .
H1B H 0.0092 -0.4142 0.0365 0.150 Uiso 1 1 calc GR . . . .
H1C H -0.0910 -0.2967 0.0776 0.150 Uiso 1 1 calc GR . . . .
F6 F 0.6504(7) 0.9274(7) 0.4554(4) 0.1251(19) Uani 0.501(5) 1 d . U P B 1
F4' F 0.7026(8) 0.9141(8) 0.2689(5) 0.131(2) Uani 0.499(5) 1 d . U P B 2
F5' F 0.7367(7) 0.8424(7) 0.4390(6) 0.154(3) Uani 0.499(5) 1 d . U P B 2
F4 F 0.6185(7) 0.9906(7) 0.2783(6) 0.155(3) Uani 0.501(5) 1 d . U P B 1
F5 F 0.7756(4) 0.8120(6) 0.3706(7) 0.1262(18) Uani 0.501(5) 1 d . U P B 1
F6' F 0.5692(4) 1.0191(4) 0.3622(6) 0.1207(16) Uani 0.499(5) 1 d . U P B 2


_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 C21 1.272(3) . ?
F2 C21 1.377(3) . ?
F3 C21 1.303(4) . ?
F1' C21 1.419(5) . ?
F2' C21 1.262(4) . ?
F3' C21 1.270(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.384(2) . ?
C15 C14 1.392(2) . ?
N2 C13 1.144(2) . ?
C20 C16 1.492(2) . ?
C20 F6 1.339(4) . ?
C20 F4' 1.315(4) . ?
C20 F5' 1.227(4) . ?
C20 F4 1.227(4) . ?
C20 F5 1.338(4) . ?
C20 F6' 1.335(4) . ?
C16 C17 1.378(2) . ?
C14 C12 1.478(2) . ?
C14 C19 1.392(2) . ?
C12 C11 1.354(2) . ?
C12 C13 1.433(2) . ?
C11 H11 0.9300 . ?
C11 C10 1.424(2) . ?
C10 H10 0.9300 . ?
C10 C9 1.344(2) . ?
C9 H9 0.9300 . ?
C9 C6 1.443(2) . ?
C6 C7 1.399(2) . ?
C6 C5 1.393(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.370(2) . ?
C8 H8 0.9300 . ?
C8 C3 1.409(2) . ?
C3 N1 1.370(2) . ?
C3 C4 1.398(3) . ?
N1 C2 1.433(3) . ?
N1 C1 1.448(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C17 H17 0.9300 . ?
C17 C18 1.387(2) . ?
C18 C21 1.491(2) . ?
C18 C19 1.383(2) . ?
C19 H19 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.371(2) . ?
C4 H4 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C16 C15 H15 119.5 . . ?
C16 C15 C14 120.91(14) . . ?
C14 C15 H15 119.5 . . ?
F6 C20 C16 113.2(2) . . ?
F4' C20 C16 114.3(2) . . ?
F4' C20 F6' 101.6(3) . . ?
F5' C20 C16 114.4(2) . . ?
F5' C20 F4' 106.4(4) . . ?
F5' C20 F6' 108.0(4) . . ?
F4 C20 C16 114.6(3) . . ?
F4 C20 F6 111.5(4) . . ?
F4 C20 F5 108.3(4) . . ?
F5 C20 C16 110.6(2) . . ?
F5 C20 F6 97.3(3) . . ?
F6' C20 C16 111.3(2) . . ?
C15 C16 C20 118.94(14) . . ?
C17 C16 C15 121.06(15) . . ?
C17 C16 C20 120.00(15) . . ?
C15 C14 C12 120.26(13) . . ?
C15 C14 C19 117.81(14) . . ?
C19 C14 C12 121.93(13) . . ?
C11 C12 C14 125.08(14) . . ?
C11 C12 C13 119.10(14) . . ?
C13 C12 C14 115.80(13) . . ?
C12 C11 H11 116.0 . . ?
C12 C11 C10 127.94(15) . . ?
C10 C11 H11 116.0 . . ?
C11 C10 H10 119.4 . . ?
C9 C10 C11 121.27(15) . . ?
C9 C10 H10 119.4 . . ?
C10 C9 H9 115.3 . . ?
C10 C9 C6 129.46(15) . . ?
C6 C9 H9 115.3 . . ?
C7 C6 C9 124.27(14) . . ?
C5 C6 C9 119.65(15) . . ?
C5 C6 C7 116.07(15) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 C6 122.01(15) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 H8 119.3 . . ?
C7 C8 C3 121.44(16) . . ?
C3 C8 H8 119.3 . . ?
N1 C3 C8 121.77(16) . . ?
N1 C3 C4 121.63(16) . . ?
C4 C3 C8 116.59(15) . . ?
C3 N1 C2 121.87(17) . . ?
C3 N1 C1 120.71(18) . . ?
C2 N1 C1 117.06(18) . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118.40(14) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 C21 119.28(15) . . ?
C19 C18 C17 120.92(14) . . ?
C19 C18 C21 119.76(15) . . ?
F1 C21 F2 103.4(3) . . ?
F1 C21 F3 107.8(3) . . ?
F1 C21 C18 113.35(19) . . ?
F2 C21 C18 111.0(2) . . ?
F3 C21 F2 105.6(3) . . ?
F3 C21 C18 114.8(3) . . ?
F1' C21 C18 107.3(3) . . ?
F2' C21 F1' 104.5(4) . . ?
F2' C21 F3' 110.5(4) . . ?
F2' C21 C18 116.1(2) . . ?
F3' C21 F1' 104.0(4) . . ?
F3' C21 C18 113.2(3) . . ?
C14 C19 H19 119.6 . . ?
C18 C19 C14 120.89(14) . . ?
C18 C19 H19 119.6 . . ?
N2 C13 C12 177.75(18) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 C6 122.69(16) . . ?
C4 C5 H5 118.7 . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.17(15) . . ?
C5 C4 H4 119.4 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

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
C15 C16 C17 C18 0.2(2) . . . . ?
C15 C14 C12 C11 167.36(14) . . . . ?
C15 C14 C12 C13 -10.7(2) . . . . ?
C15 C14 C19 C18 -0.8(2) . . . . ?
C20 C16 C17 C18 -179.20(15) . . . . ?
C16 C15 C14 C12 -178.18(13) . . . . ?
C16 C15 C14 C19 1.5(2) . . . . ?
C16 C17 C18 C21 -177.32(15) . . . . ?
C16 C17 C18 C19 0.6(2) . . . . ?
C14 C15 C16 C20 178.11(15) . . . . ?
C14 C15 C16 C17 -1.3(2) . . . . ?
C14 C12 C11 C10 -179.57(15) . . . . ?
C12 C14 C19 C18 178.95(13) . . . . ?
C12 C11 C10 C9 178.32(16) . . . . ?
C11 C10 C9 C6 -179.45(15) . . . . ?
C10 C9 C6 C7 4.0(3) . . . . ?
C10 C9 C6 C5 -175.24(16) . . . . ?
C9 C6 C7 C8 -178.54(15) . . . . ?
C9 C6 C5 C4 178.20(15) . . . . ?
C6 C7 C8 C3 0.5(3) . . . . ?
C6 C5 C4 C3 0.3(3) . . . . ?
C7 C6 C5 C4 -1.1(2) . . . . ?
C7 C8 C3 N1 179.31(16) . . . . ?
C7 C8 C3 C4 -1.3(2) . . . . ?
C8 C3 N1 C2 -2.6(3) . . . . ?
C8 C3 N1 C1 -175.54(17) . . . . ?
C8 C3 C4 C5 1.0(2) . . . . ?
N1 C3 C4 C5 -179.68(16) . . . . ?
C17 C18 C21 F1 104.8(4) . . . . ?
C17 C18 C21 F2 -139.3(3) . . . . ?
C17 C18 C21 F3 -19.6(4) . . . . ?
C17 C18 C21 F1' 55.1(5) . . . . ?
C17 C18 C21 F2' 171.5(6) . . . . ?
C17 C18 C21 F3' -59.1(5) . . . . ?
C17 C18 C19 C14 -0.3(2) . . . . ?
C21 C18 C19 C14 177.62(15) . . . . ?
C19 C14 C12 C11 -12.4(2) . . . . ?
C19 C14 C12 C13 169.57(14) . . . . ?
C19 C18 C21 F1 -73.1(5) . . . . ?
C19 C18 C21 F2 42.8(4) . . . . ?
C19 C18 C21 F3 162.4(4) . . . . ?
C19 C18 C21 F1' -122.8(5) . . . . ?
C19 C18 C21 F2' -6.4(7) . . . . ?
C19 C18 C21 F3' 123.0(5) . . . . ?
C13 C12 C11 C10 -1.6(3) . . . . ?
C5 C6 C7 C8 0.7(2) . . . . ?
C4 C3 N1 C2 178.06(17) . . . . ?
C4 C3 N1 C1 5.1(3) . . . . ?
F6 C20 C16 C15 -163.9(4) . . . . ?
F6 C20 C16 C17 15.5(4) . . . . ?
F4' C20 C16 C15 15.3(5) . . . . ?
F4' C20 C16 C17 -165.3(5) . . . . ?
F5' C20 C16 C15 -107.6(6) . . . . ?
F5' C20 C16 C17 71.8(6) . . . . ?
F4 C20 C16 C15 66.8(6) . . . . ?
F4 C20 C16 C17 -113.8(6) . . . . ?
F5 C20 C16 C15 -55.9(4) . . . . ?
F5 C20 C16 C17 123.5(4) . . . . ?
F6' C20 C16 C15 129.6(4) . . . . ?
F6' C20 C16 C17 -51.0(4) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
