# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_9
_database_code_depnum_ccdc_archive 'CCDC 1971579'
loop_
_audit_author_name
_audit_author_address
'David Cordes'
;University of St Andrews
United Kingdom
;
_audit_update_record             
;
2019-12-12 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;
_audit_creation_date             2019-06-26
_audit_creation_method           'by CrystalStructure 4.3'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C20 H32 F6'
_chemical_formula_moiety         'C20 H32 F6'
_chemical_formula_weight         386.46
_chemical_melting_point          ?
_chemical_absolute_configuration syn

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        I2
_space_group_name_Hall           'I 2y'
_space_group_IT_number           5
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,-Z
3 1/2+X,1/2+Y,1/2+Z
4 1/2-X,1/2+Y,1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.939(7)
_cell_length_b                   5.285(3)
_cell_length_c                   35.06(3)
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.01(2)
_cell_angle_gamma                90.0000
_cell_volume                     2019(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    784
_cell_measurement_theta_min      40.60
_cell_measurement_theta_max      68.20
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824.00
_exptl_absorpt_coefficient_mu    0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_T_max  0.981

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_measurement_device_type  'Rigaku XtaLAB P100'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            10244
_diffrn_reflns_av_unetI/netI     0.0828
_diffrn_reflns_av_R_equivalents  0.1164
_diffrn_reflns_theta_max         68.202
_diffrn_reflns_theta_min         4.143
_diffrn_reflns_theta_full        67.687
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_point_group_measured_fraction_full 0.936
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       28
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             3448
_reflns_number_gt                2132
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.704
_reflns_Friedel_fraction_max     0.868
_reflns_Friedel_fraction_full    0.878

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_ref         0.1613
_refine_ls_wR_factor_gt          0.1541
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         3448
_refine_ls_number_parameters     235
_refine_ls_goodness_of_fit_ref   0.894
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0975P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 630 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.11(18)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0727 0.0534
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.0519(2) 0.5075(7) 0.83221(8) 0.0689(8) Uani 1 1 d . . . . .
F2 F -0.1506(3) 0.2103(5) 0.79670(8) 0.0703(8) Uani 1 1 d . . . . .
F3 F -0.1081(3) 0.3499(6) 0.72475(7) 0.0684(8) Uani 1 1 d . . . . .
F6 F 0.2528(2) 0.6891(6) 0.73234(7) 0.0696(8) Uani 1 1 d . . . . .
F7 F 0.3325(2) 0.4855(6) 0.66843(8) 0.0732(8) Uani 1 1 d . . . . .
F8 F 0.0926(3) 0.3118(7) 0.63986(9) 0.0895(11) Uani 1 1 d . . . . .
C1 C -0.0697(4) 0.5887(9) 0.82513(12) 0.0487(11) Uani 1 1 d . . . . .
H1 H -0.069077 0.775923 0.821011 0.058 Uiso 1 1 calc R U . . .
C2 C -0.1243(4) 0.4662(9) 0.78879(12) 0.0507(10) Uani 1 1 d . . . . .
H2 H -0.202738 0.554433 0.780187 0.061 Uiso 1 1 calc R U . . .
C3 C -0.0420(4) 0.4681(9) 0.75625(12) 0.0495(10) Uani 1 1 d . . . . .
H3 H 0.033650 0.367588 0.763847 0.059 Uiso 1 1 calc R U . . .
C4 C -0.0054(4) 0.7330(9) 0.74441(12) 0.0519(11) Uani 1 1 d . . . . .
H4A H -0.078431 0.844183 0.743495 0.062 Uiso 1 1 calc R U . . .
H4B H 0.056132 0.801237 0.764150 0.062 Uiso 1 1 calc R U . . .
C5 C 0.0477(4) 0.7416(9) 0.70570(13) 0.0567(12) Uani 1 1 d . . . . .
H5A H -0.013782 0.671290 0.686150 0.068 Uiso 1 1 calc R U . . .
H5B H 0.061169 0.920828 0.698984 0.068 Uiso 1 1 calc R U . . .
C6 C 0.1670(4) 0.5995(9) 0.70361(12) 0.0518(11) Uani 1 1 d . . . . .
H6 H 0.152057 0.415858 0.708265 0.062 Uiso 1 1 calc R U . . .
C7 C 0.2248(4) 0.6267(10) 0.66613(13) 0.0557(12) Uani 1 1 d . . . . .
H7 H 0.247499 0.808539 0.663241 0.067 Uiso 1 1 calc R U . . .
C8 C 0.1445(4) 0.5516(10) 0.63120(14) 0.0590(12) Uani 1 1 d . . . . .
H8 H 0.076837 0.678233 0.626767 0.071 Uiso 1 1 calc R U . . .
C9 C -0.1360(4) 0.5352(10) 0.86101(13) 0.0565(12) Uani 1 1 d . . . . .
H9 H -0.123213 0.352077 0.867303 0.068 Uiso 1 1 calc R U . . .
C10 C -0.2722(5) 0.5787(12) 0.85601(15) 0.0688(14) Uani 1 1 d . . . . .
H10A H -0.308521 0.472100 0.834726 0.083 Uiso 1 1 calc R U . . .
H10B H -0.288408 0.757919 0.849052 0.083 Uiso 1 1 calc R U . . .
C11 C -0.3334(5) 0.5167(15) 0.89221(15) 0.0791(17) Uani 1 1 d . . . . .
H11A H -0.421758 0.559297 0.888256 0.095 Uiso 1 1 calc R U . . .
H11B H -0.326419 0.332818 0.897315 0.095 Uiso 1 1 calc R U . . .
C12 C -0.2763(5) 0.6599(15) 0.92638(16) 0.0845(18) Uani 1 1 d . . . . .
H12A H -0.313445 0.602163 0.949615 0.101 Uiso 1 1 calc R U . . .
H12B H -0.294581 0.842380 0.922959 0.101 Uiso 1 1 calc R U . . .
C13 C -0.1391(6) 0.6238(15) 0.93206(16) 0.0876(19) Uani 1 1 d . . . . .
H13A H -0.120651 0.446071 0.939426 0.105 Uiso 1 1 calc R U . . .
H13B H -0.104740 0.734181 0.953161 0.105 Uiso 1 1 calc R U . . .
C14 C -0.0779(5) 0.6873(12) 0.89540(13) 0.0707(14) Uani 1 1 d . . . . .
H14A H 0.010820 0.648252 0.899299 0.085 Uiso 1 1 calc R U . . .
H14B H -0.086834 0.870454 0.889950 0.085 Uiso 1 1 calc R U . . .
C15 C 0.2067(5) 0.5187(11) 0.59424(13) 0.0616(12) Uani 1 1 d . . . . .
H15 H 0.266792 0.376582 0.598308 0.074 Uiso 1 1 calc R U . . .
C16 C 0.2778(6) 0.7524(12) 0.58444(14) 0.0760(16) Uani 1 1 d . . . . .
H16A H 0.343231 0.785782 0.605162 0.091 Uiso 1 1 calc R U . . .
H16B H 0.221959 0.900131 0.582641 0.091 Uiso 1 1 calc R U . . .
C17 C 0.3355(6) 0.7201(15) 0.54644(15) 0.0879(18) Uani 1 1 d . . . . .
H17A H 0.377064 0.879498 0.540241 0.106 Uiso 1 1 calc R U . . .
H17B H 0.398464 0.585212 0.549295 0.106 Uiso 1 1 calc R U . . .
C18 C 0.2423(6) 0.6534(13) 0.51401(15) 0.0883(19) Uani 1 1 d . . . . .
H18A H 0.283950 0.624625 0.490430 0.106 Uiso 1 1 calc R U . . .
H18B H 0.183935 0.795464 0.509198 0.106 Uiso 1 1 calc R U . . .
C19 C 0.1731(6) 0.4173(13) 0.52369(15) 0.0846(18) Uani 1 1 d . . . . .
H19A H 0.230400 0.271912 0.525598 0.102 Uiso 1 1 calc R U . . .
H19B H 0.108657 0.381443 0.502768 0.102 Uiso 1 1 calc R U . . .
C20 C 0.1139(5) 0.4445(14) 0.56124(14) 0.0770(16) Uani 1 1 d . . . . .
H20A H 0.048710 0.574709 0.558200 0.092 Uiso 1 1 calc R U . . .
H20B H 0.075016 0.282037 0.567382 0.092 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b32'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b32'
_computing_structure_solution    'Superflip (Palatinus, et al., 2007)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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 C1 1.399(5) . ?
F2 C2 1.415(6) . ?
F3 C3 1.411(5) . ?
F6 C6 1.398(5) . ?
F7 C7 1.391(5) . ?
F8 C8 1.432(6) . ?
C1 C2 1.505(6) . ?
C1 C9 1.532(7) . ?
C1 H1 1.0000 . ?
C2 C3 1.513(6) . ?
C2 H2 1.0000 . ?
C3 C4 1.524(7) . ?
C3 H3 1.0000 . ?
C4 C5 1.523(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.513(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.514(6) . ?
C6 H6 1.0000 . ?
C7 C8 1.497(7) . ?
C7 H7 1.0000 . ?
C8 C15 1.525(7) . ?
C8 H8 1.0000 . ?
C9 C10 1.503(7) . ?
C9 C14 1.539(7) . ?
C9 H9 1.0000 . ?
C10 C11 1.522(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.506(9) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.509(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.537(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.515(8) . ?
C15 C20 1.523(7) . ?
C15 H15 1.0000 . ?
C16 C17 1.533(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.502(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.513(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.524(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?

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
F1 C1 C2 108.6(4) . . ?
F1 C1 C9 108.0(3) . . ?
C2 C1 C9 115.7(4) . . ?
F1 C1 H1 108.1 . . ?
C2 C1 H1 108.1 . . ?
C9 C1 H1 108.1 . . ?
F2 C2 C1 108.5(4) . . ?
F2 C2 C3 107.4(4) . . ?
C1 C2 C3 114.7(4) . . ?
F2 C2 H2 108.7 . . ?
C1 C2 H2 108.7 . . ?
C3 C2 H2 108.7 . . ?
F3 C3 C2 106.8(3) . . ?
F3 C3 C4 108.8(3) . . ?
C2 C3 C4 113.5(4) . . ?
F3 C3 H3 109.2 . . ?
C2 C3 H3 109.2 . . ?
C4 C3 H3 109.2 . . ?
C5 C4 C3 113.6(4) . . ?
C5 C4 H4A 108.8 . . ?
C3 C4 H4A 108.8 . . ?
C5 C4 H4B 108.8 . . ?
C3 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 C4 115.2(4) . . ?
C6 C5 H5A 108.5 . . ?
C4 C5 H5A 108.5 . . ?
C6 C5 H5B 108.5 . . ?
C4 C5 H5B 108.5 . . ?
H5A C5 H5B 107.5 . . ?
F6 C6 C5 108.9(4) . . ?
F6 C6 C7 106.7(3) . . ?
C5 C6 C7 115.0(4) . . ?
F6 C6 H6 108.7 . . ?
C5 C6 H6 108.7 . . ?
C7 C6 H6 108.7 . . ?
F7 C7 C8 109.8(4) . . ?
F7 C7 C6 108.3(3) . . ?
C8 C7 C6 115.1(4) . . ?
F7 C7 H7 107.8 . . ?
C8 C7 H7 107.8 . . ?
C6 C7 H7 107.8 . . ?
F8 C8 C7 106.1(4) . . ?
F8 C8 C15 107.1(4) . . ?
C7 C8 C15 116.8(4) . . ?
F8 C8 H8 108.9 . . ?
C7 C8 H8 108.9 . . ?
C15 C8 H8 108.9 . . ?
C10 C9 C1 114.3(4) . . ?
C10 C9 C14 110.4(4) . . ?
C1 C9 C14 110.7(4) . . ?
C10 C9 H9 107.0 . . ?
C1 C9 H9 107.0 . . ?
C14 C9 H9 107.0 . . ?
C9 C10 C11 111.9(4) . . ?
C9 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C12 C11 C10 111.9(5) . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C10 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 C13 112.4(5) . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 C14 111.3(5) . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C9 111.2(5) . . ?
C13 C14 H14A 109.4 . . ?
C9 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C9 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C20 111.1(4) . . ?
C16 C15 C8 112.1(4) . . ?
C20 C15 C8 110.9(4) . . ?
C16 C15 H15 107.5 . . ?
C20 C15 H15 107.5 . . ?
C8 C15 H15 107.5 . . ?
C15 C16 C17 111.4(5) . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C17 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C16 112.3(5) . . ?
C18 C17 H17A 109.1 . . ?
C16 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
C16 C17 H17B 109.1 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 C19 110.1(5) . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.2 . . ?
C18 C19 C20 112.0(5) . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
C20 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C15 C20 C19 112.0(5) . . ?
C15 C20 H20A 109.2 . . ?
C19 C20 H20A 109.2 . . ?
C15 C20 H20B 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?

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 C1 C2 F2 75.7(4) . . . . ?
C9 C1 C2 F2 -45.9(5) . . . . ?
F1 C1 C2 C3 -44.4(5) . . . . ?
C9 C1 C2 C3 -165.9(4) . . . . ?
F2 C2 C3 F3 60.1(4) . . . . ?
C1 C2 C3 F3 -179.2(4) . . . . ?
F2 C2 C3 C4 -179.9(4) . . . . ?
C1 C2 C3 C4 -59.3(5) . . . . ?
F3 C3 C4 C5 -45.9(5) . . . . ?
C2 C3 C4 C5 -164.7(4) . . . . ?
C3 C4 C5 C6 -63.9(5) . . . . ?
C4 C5 C6 F6 -55.4(5) . . . . ?
C4 C5 C6 C7 -175.1(4) . . . . ?
F6 C6 C7 F7 59.4(5) . . . . ?
C5 C6 C7 F7 -179.7(4) . . . . ?
F6 C6 C7 C8 -177.2(4) . . . . ?
C5 C6 C7 C8 -56.3(6) . . . . ?
F7 C7 C8 F8 75.2(5) . . . . ?
C6 C7 C8 F8 -47.4(5) . . . . ?
F7 C7 C8 C15 -44.0(6) . . . . ?
C6 C7 C8 C15 -166.6(4) . . . . ?
F1 C1 C9 C10 -171.9(4) . . . . ?
C2 C1 C9 C10 -50.0(6) . . . . ?
F1 C1 C9 C14 62.6(5) . . . . ?
C2 C1 C9 C14 -175.5(4) . . . . ?
C1 C9 C10 C11 178.6(5) . . . . ?
C14 C9 C10 C11 -55.7(7) . . . . ?
C9 C10 C11 C12 55.0(7) . . . . ?
C10 C11 C12 C13 -53.6(8) . . . . ?
C11 C12 C13 C14 53.5(8) . . . . ?
C12 C13 C14 C9 -54.4(7) . . . . ?
C10 C9 C14 C13 55.5(6) . . . . ?
C1 C9 C14 C13 -176.8(4) . . . . ?
F8 C8 C15 C16 -173.5(5) . . . . ?
C7 C8 C15 C16 -54.8(6) . . . . ?
F8 C8 C15 C20 61.8(6) . . . . ?
C7 C8 C15 C20 -179.6(5) . . . . ?
C20 C15 C16 C17 -53.1(7) . . . . ?
C8 C15 C16 C17 -177.8(5) . . . . ?
C15 C16 C17 C18 55.6(8) . . . . ?
C16 C17 C18 C19 -56.0(8) . . . . ?
C17 C18 C19 C20 55.5(7) . . . . ?
C16 C15 C20 C19 53.1(7) . . . . ?
C8 C15 C20 C19 178.5(5) . . . . ?
C18 C19 C20 C15 -54.8(7) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane/diethyl ether'
