# 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_cu_WCH-xray-B_0m
_database_code_depnum_ccdc_archive 'CCDC 2215186'
loop_
_audit_author_name
_audit_author_address
'Jordi Benet Buchholz'
;ICIQ
Spain
;
_audit_update_record             
;
2022-10-25 deposited with the CCDC.	2023-04-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H11 F21 O'
_chemical_formula_weight         678.30

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'
O O 0.0492 0.0322 '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                   5.6498(2)
_cell_length_b                   9.6522(3)
_cell_length_c                   22.2488(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.285(2)
_cell_angle_gamma                90
_cell_volume                     1212.33(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8532
_cell_measurement_theta_min      3.98
_cell_measurement_theta_max      67.64

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_F_000             668
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    2.088
_shelx_estimated_absorpt_T_min   0.818
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6282
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.65
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            14295
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.987
_diffrn_reflns_theta_max         67.986
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_point_group_measured_fraction_full 0.948
_reflns_number_total             4183
_reflns_number_gt                3926
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.834
_reflns_Friedel_fraction_max     0.918
_reflns_Friedel_fraction_full    0.922

_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       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker APEX2 v2014.9-0'
_computing_structure_solution    'SHELXT (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'shelXle (Hübschle, Sheldrick and Dittirch, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0624P)²+0.8294P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1673 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(6)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4183
_refine_ls_number_parameters     389
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1184
_refine_ls_wR_factor_gt          0.1162
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.000
_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 0.0067(5) 0.2089(3) 0.20375(12) 0.0346(7) Uani 1 1 d . . . . .
F3 F 0.3879(6) 0.1957(3) 0.27166(12) 0.0390(7) Uani 1 1 d . . . . .
F4 F 0.4674(5) 0.4156(3) 0.26196(12) 0.0380(7) Uani 1 1 d . . . . .
F5 F -0.0535(5) 0.2912(3) 0.31993(12) 0.0351(7) Uani 1 1 d . . . . .
F6 F 0.1223(6) 0.4917(3) 0.32680(12) 0.0399(8) Uani 1 1 d . . . . .
F7 F 0.5194(5) 0.3366(4) 0.37930(12) 0.0436(8) Uani 1 1 d . . . . .
F8 F 0.2651(6) 0.1689(3) 0.38765(12) 0.0397(8) Uani 1 1 d . . . . .
F9 F -0.0391(5) 0.3796(4) 0.43610(12) 0.0429(8) Uani 1 1 d . . . . .
F10 F 0.2809(7) 0.5048(3) 0.44408(12) 0.0438(8) Uani 1 1 d . . . . .
F11 F 0.1487(7) 0.1823(3) 0.50337(12) 0.0487(9) Uani 1 1 d . . . . .
F12 F 0.5038(6) 0.2661(4) 0.49742(14) 0.0526(10) Uani 1 1 d . . . . .
F13 F 0.0344(8) 0.4529(4) 0.55074(14) 0.0663(13) Uani 1 1 d . . . . .
F14 F 0.4133(9) 0.4756(4) 0.56298(14) 0.0693(13) Uani 1 1 d . . . . .
F15 F 0.0208(7) 0.2354(5) 0.61655(14) 0.0635(12) Uani 1 1 d . . . . .
F16 F 0.3942(8) 0.2030(4) 0.61617(14) 0.0622(12) Uani 1 1 d . . . . .
F17 F 0.4897(8) 0.4167(5) 0.68258(15) 0.0693(12) Uani 1 1 d . . . . .
F18 F 0.1366(10) 0.5023(4) 0.66766(15) 0.0800(16) Uani 1 1 d . . . . .
F19 F 0.2903(9) 0.1960(4) 0.73967(15) 0.0719(12) Uani 1 1 d . . . . .
F20 F 0.2329(9) 0.3963(4) 0.77809(14) 0.0706(13) Uani 1 1 d . . . . .
F21 F -0.0496(9) 0.2932(7) 0.73016(17) 0.0951(18) Uani 1 1 d . . . . .
O1 O -0.0385(6) 0.5492(3) -0.03713(14) 0.0305(8) Uani 1 1 d . . . . .
C1 C -0.0430(8) 0.4648(5) 0.00300(19) 0.0239(9) Uani 1 1 d . . . . .
H1 H -0.146517 0.387705 -0.002040 0.029 Uiso 1 1 calc R U . . .
F2 F -0.0175(5) 0.4337(3) 0.21144(11) 0.0329(6) Uani 1 1 d . . . . .
C2 C 0.1040(8) 0.4747(4) 0.05966(18) 0.0217(9) Uani 1 1 d . . . . .
C3 C 0.2481(8) 0.6013(4) 0.07049(19) 0.0227(9) Uani 1 1 d . . . . .
C4 C 0.4421(8) 0.6274(5) 0.03596(19) 0.0246(9) Uani 1 1 d . . . . .
H4 H 0.476825 0.566319 0.004023 0.030 Uiso 1 1 calc R U . . .
C5 C 0.5868(9) 0.7421(5) 0.0474(2) 0.0281(10) Uani 1 1 d . . . . .
H5 H 0.721250 0.757577 0.024006 0.034 Uiso 1 1 calc R U . . .
C6 C 0.5343(9) 0.8332(5) 0.09296(19) 0.0270(10) Uani 1 1 d . . . . .
H6 H 0.631546 0.911938 0.100824 0.032 Uiso 1 1 calc R U . . .
C7 C 0.3381(9) 0.8086(5) 0.1271(2) 0.0295(10) Uani 1 1 d . . . . .
H7 H 0.300126 0.871653 0.158015 0.035 Uiso 1 1 calc R U . . .
C8 C 0.1971(9) 0.6929(5) 0.11644(19) 0.0268(10) Uani 1 1 d . . . . .
H8 H 0.065311 0.676107 0.140634 0.032 Uiso 1 1 calc R U . . .
C9 C 0.1058(8) 0.3652(5) 0.09610(18) 0.0213(9) Uani 1 1 d . . . . .
H9 H -0.007479 0.294336 0.087800 0.026 Uiso 1 1 calc R U . . .
C10 C 0.2745(8) 0.3459(5) 0.14955(18) 0.0247(10) Uani 1 1 d . . . . .
H10 H 0.373734 0.431343 0.154180 0.030 Uiso 1 1 calc R U . . .
C11 C 0.1367(8) 0.3271(5) 0.20675(19) 0.0234(9) Uani 1 1 d . . . . .
C12 C 0.2916(8) 0.3231(5) 0.2658(2) 0.0260(10) Uani 1 1 d . . . . .
C13 C 0.1588(8) 0.3543(5) 0.32395(19) 0.0230(9) Uani 1 1 d . . . . .
C14 C 0.2897(8) 0.3073(5) 0.3827(2) 0.0249(9) Uani 1 1 d . . . . .
C15 C 0.1984(8) 0.3743(5) 0.44042(19) 0.0243(10) Uani 1 1 d . . . . .
C16 C 0.2728(8) 0.2982(5) 0.49974(19) 0.0241(9) Uani 1 1 d . . . . .
C17 C 0.2376(10) 0.3846(5) 0.5570(2) 0.0321(11) Uani 1 1 d . . . . .
C18 C 0.2313(9) 0.3000(5) 0.6159(2) 0.0308(11) Uani 1 1 d . . . . .
C19 C 0.2588(11) 0.3858(6) 0.6736(2) 0.0396(13) Uani 1 1 d . . . . .
C20 C 0.1812(12) 0.3156(8) 0.7318(2) 0.0517(16) Uani 1 1 d . . . . .
C21 C 0.4390(9) 0.2230(5) 0.1378(2) 0.0331(11) Uani 1 1 d . . . . .
H21A H 0.550744 0.211000 0.172241 0.050 Uiso 1 1 calc R U . . .
H21B H 0.526865 0.240914 0.101510 0.050 Uiso 1 1 calc R U . . .
H21C H 0.344331 0.138550 0.132167 0.050 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 C11 1.357(5) . ?
F3 C12 1.349(5) . ?
F4 C12 1.341(5) . ?
F5 C13 1.345(5) . ?
F6 C13 1.344(5) . ?
F7 C14 1.333(6) . ?
F8 C14 1.347(6) . ?
F9 C15 1.342(6) . ?
F10 C15 1.344(6) . ?
F11 C16 1.324(6) . ?
F12 C16 1.344(6) . ?
F13 C17 1.326(6) . ?
F14 C17 1.329(6) . ?
F15 C18 1.343(6) . ?
F16 C18 1.313(6) . ?
F17 C19 1.345(7) . ?
F18 C19 1.323(7) . ?
F19 C20 1.317(8) . ?
F20 C20 1.314(7) . ?
F21 C20 1.321(8) . ?
O1 C1 1.210(5) . ?
C1 C2 1.485(6) . ?
C1 H1 0.9500 . ?
F2 C11 1.355(5) . ?
C2 C9 1.331(6) . ?
C2 C3 1.483(6) . ?
C3 C4 1.386(6) . ?
C3 C8 1.390(6) . ?
C4 C5 1.393(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.387(7) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.506(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.529(6) . ?
C10 C21 1.536(6) . ?
C10 H10 1.0000 . ?
C11 C12 1.550(6) . ?
C12 C13 1.551(6) . ?
C13 C14 1.545(6) . ?
C14 C15 1.544(6) . ?
C15 C16 1.554(6) . ?
C16 C17 1.541(6) . ?
C17 C18 1.546(7) . ?
C18 C19 1.531(7) . ?
C19 C20 1.542(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?

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
O1 C1 C2 123.7(4) . . ?
O1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C9 C2 C3 124.4(4) . . ?
C9 C2 C1 117.1(4) . . ?
C3 C2 C1 118.4(4) . . ?
C4 C3 C8 118.9(4) . . ?
C4 C3 C2 120.1(4) . . ?
C8 C3 C2 121.0(4) . . ?
C3 C4 C5 120.9(4) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 119.9(4) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C7 119.4(4) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C8 C7 C6 120.7(4) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C7 C8 C3 120.2(4) . . ?
C7 C8 H8 119.9 . . ?
C3 C8 H8 119.9 . . ?
C2 C9 C10 124.6(4) . . ?
C2 C9 H9 117.7 . . ?
C10 C9 H9 117.7 . . ?
C9 C10 C11 110.2(3) . . ?
C9 C10 C21 109.2(4) . . ?
C11 C10 C21 112.4(4) . . ?
C9 C10 H10 108.3 . . ?
C11 C10 H10 108.3 . . ?
C21 C10 H10 108.3 . . ?
F2 C11 F1 107.1(3) . . ?
F2 C11 C10 108.9(3) . . ?
F1 C11 C10 110.6(3) . . ?
F2 C11 C12 107.3(3) . . ?
F1 C11 C12 107.9(3) . . ?
C10 C11 C12 114.8(3) . . ?
F4 C12 F3 108.4(4) . . ?
F4 C12 C11 108.9(3) . . ?
F3 C12 C11 108.5(4) . . ?
F4 C12 C13 107.9(4) . . ?
F3 C12 C13 107.6(3) . . ?
C11 C12 C13 115.3(4) . . ?
F6 C13 F5 108.2(4) . . ?
F6 C13 C14 108.6(4) . . ?
F5 C13 C14 108.6(3) . . ?
F6 C13 C12 108.1(4) . . ?
F5 C13 C12 108.4(4) . . ?
C14 C13 C12 114.7(4) . . ?
F7 C14 F8 108.6(4) . . ?
F7 C14 C15 108.5(4) . . ?
F8 C14 C15 108.0(4) . . ?
F7 C14 C13 108.8(4) . . ?
F8 C14 C13 108.2(4) . . ?
C15 C14 C13 114.6(4) . . ?
F9 C15 F10 108.1(4) . . ?
F9 C15 C14 108.8(4) . . ?
F10 C15 C14 108.4(4) . . ?
F9 C15 C16 108.3(4) . . ?
F10 C15 C16 108.1(4) . . ?
C14 C15 C16 114.8(4) . . ?
F11 C16 F12 109.0(4) . . ?
F11 C16 C17 108.7(4) . . ?
F12 C16 C17 108.3(4) . . ?
F11 C16 C15 109.0(4) . . ?
F12 C16 C15 107.8(4) . . ?
C17 C16 C15 114.0(4) . . ?
F13 C17 F14 108.8(5) . . ?
F13 C17 C16 108.8(4) . . ?
F14 C17 C16 108.7(4) . . ?
F13 C17 C18 107.6(4) . . ?
F14 C17 C18 107.8(4) . . ?
C16 C17 C18 115.0(4) . . ?
F16 C18 F15 106.8(5) . . ?
F16 C18 C19 109.5(4) . . ?
F15 C18 C19 107.6(4) . . ?
F16 C18 C17 110.0(4) . . ?
F15 C18 C17 107.8(4) . . ?
C19 C18 C17 114.9(4) . . ?
F18 C19 F17 109.0(5) . . ?
F18 C19 C18 109.9(4) . . ?
F17 C19 C18 108.1(5) . . ?
F18 C19 C20 107.0(5) . . ?
F17 C19 C20 106.2(5) . . ?
C18 C19 C20 116.4(5) . . ?
F20 C20 F19 109.1(5) . . ?
F20 C20 F21 107.9(5) . . ?
F19 C20 F21 108.5(7) . . ?
F20 C20 C19 109.6(6) . . ?
F19 C20 C19 110.4(5) . . ?
F21 C20 C19 111.2(5) . . ?
C10 C21 H21A 109.5 . . ?
C10 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C10 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
O1 C1 C2 C9 -170.9(4) . . . . ?
O1 C1 C2 C3 5.9(6) . . . . ?
C9 C2 C3 C4 107.3(5) . . . . ?
C1 C2 C3 C4 -69.3(5) . . . . ?
C9 C2 C3 C8 -70.4(6) . . . . ?
C1 C2 C3 C8 113.0(5) . . . . ?
C8 C3 C4 C5 1.0(7) . . . . ?
C2 C3 C4 C5 -176.7(4) . . . . ?
C3 C4 C5 C6 -1.5(7) . . . . ?
C4 C5 C6 C7 0.5(7) . . . . ?
C5 C6 C7 C8 0.9(7) . . . . ?
C6 C7 C8 C3 -1.3(7) . . . . ?
C4 C3 C8 C7 0.3(7) . . . . ?
C2 C3 C8 C7 178.1(4) . . . . ?
C3 C2 C9 C10 -7.8(7) . . . . ?
C1 C2 C9 C10 168.8(4) . . . . ?
C2 C9 C10 C11 122.4(4) . . . . ?
C2 C9 C10 C21 -113.7(5) . . . . ?
C9 C10 C11 F2 -53.0(5) . . . . ?
C21 C10 C11 F2 -175.1(4) . . . . ?
C9 C10 C11 F1 64.4(5) . . . . ?
C21 C10 C11 F1 -57.7(5) . . . . ?
C9 C10 C11 C12 -173.3(4) . . . . ?
C21 C10 C11 C12 64.6(5) . . . . ?
F2 C11 C12 F4 -82.6(4) . . . . ?
F1 C11 C12 F4 162.4(4) . . . . ?
C10 C11 C12 F4 38.6(5) . . . . ?
F2 C11 C12 F3 159.6(3) . . . . ?
F1 C11 C12 F3 44.5(5) . . . . ?
C10 C11 C12 F3 -79.2(4) . . . . ?
F2 C11 C12 C13 38.9(5) . . . . ?
F1 C11 C12 C13 -76.2(5) . . . . ?
C10 C11 C12 C13 160.1(4) . . . . ?
F4 C12 C13 F6 45.4(5) . . . . ?
F3 C12 C13 F6 162.3(4) . . . . ?
C11 C12 C13 F6 -76.5(5) . . . . ?
F4 C12 C13 F5 162.5(4) . . . . ?
F3 C12 C13 F5 -80.6(4) . . . . ?
C11 C12 C13 F5 40.5(5) . . . . ?
F4 C12 C13 C14 -75.9(5) . . . . ?
F3 C12 C13 C14 40.9(5) . . . . ?
C11 C12 C13 C14 162.1(4) . . . . ?
F6 C13 C14 F7 -79.8(5) . . . . ?
F5 C13 C14 F7 162.8(4) . . . . ?
C12 C13 C14 F7 41.3(5) . . . . ?
F6 C13 C14 F8 162.3(4) . . . . ?
F5 C13 C14 F8 44.9(5) . . . . ?
C12 C13 C14 F8 -76.6(5) . . . . ?
F6 C13 C14 C15 41.8(5) . . . . ?
F5 C13 C14 C15 -75.6(5) . . . . ?
C12 C13 C14 C15 162.9(4) . . . . ?
F7 C14 C15 F9 162.8(4) . . . . ?
F8 C14 C15 F9 -79.6(5) . . . . ?
C13 C14 C15 F9 41.0(5) . . . . ?
F7 C14 C15 F10 45.4(5) . . . . ?
F8 C14 C15 F10 162.9(4) . . . . ?
C13 C14 C15 F10 -76.4(5) . . . . ?
F7 C14 C15 C16 -75.6(5) . . . . ?
F8 C14 C15 C16 42.0(5) . . . . ?
C13 C14 C15 C16 162.6(4) . . . . ?
F9 C15 C16 F11 48.4(5) . . . . ?
F10 C15 C16 F11 165.4(4) . . . . ?
C14 C15 C16 F11 -73.5(5) . . . . ?
F9 C15 C16 F12 166.6(4) . . . . ?
F10 C15 C16 F12 -76.5(5) . . . . ?
C14 C15 C16 F12 44.7(5) . . . . ?
F9 C15 C16 C17 -73.2(5) . . . . ?
F10 C15 C16 C17 43.8(5) . . . . ?
C14 C15 C16 C17 165.0(4) . . . . ?
F11 C16 C17 F13 -81.3(5) . . . . ?
F12 C16 C17 F13 160.4(5) . . . . ?
C15 C16 C17 F13 40.4(6) . . . . ?
F11 C16 C17 F14 160.4(4) . . . . ?
F12 C16 C17 F14 42.1(5) . . . . ?
C15 C16 C17 F14 -77.9(5) . . . . ?
F11 C16 C17 C18 39.4(6) . . . . ?
F12 C16 C17 C18 -78.8(5) . . . . ?
C15 C16 C17 C18 161.2(4) . . . . ?
F13 C17 C18 F16 162.7(4) . . . . ?
F14 C17 C18 F16 -80.1(5) . . . . ?
C16 C17 C18 F16 41.3(6) . . . . ?
F13 C17 C18 F15 46.7(5) . . . . ?
F14 C17 C18 F15 163.8(4) . . . . ?
C16 C17 C18 F15 -74.7(5) . . . . ?
F13 C17 C18 C19 -73.2(6) . . . . ?
F14 C17 C18 C19 44.0(6) . . . . ?
C16 C17 C18 C19 165.4(5) . . . . ?
F16 C18 C19 F18 164.9(5) . . . . ?
F15 C18 C19 F18 -79.3(6) . . . . ?
C17 C18 C19 F18 40.7(7) . . . . ?
F16 C18 C19 F17 46.1(6) . . . . ?
F15 C18 C19 F17 161.8(5) . . . . ?
C17 C18 C19 F17 -78.2(6) . . . . ?
F16 C18 C19 C20 -73.2(6) . . . . ?
F15 C18 C19 C20 42.5(6) . . . . ?
C17 C18 C19 C20 162.5(5) . . . . ?
F18 C19 C20 F20 -61.9(7) . . . . ?
F17 C19 C20 F20 54.5(7) . . . . ?
C18 C19 C20 F20 174.8(5) . . . . ?
F18 C19 C20 F19 177.9(5) . . . . ?
F17 C19 C20 F19 -65.8(6) . . . . ?
C18 C19 C20 F19 54.5(7) . . . . ?
F18 C19 C20 F21 57.4(7) . . . . ?
F17 C19 C20 F21 173.7(6) . . . . ?
C18 C19 C20 F21 -66.0(7) . . . . ?

_refine_diff_density_max         0.443
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.063


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane and diethyl ether'
