# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_scd0481
_database_code_depnum_ccdc_archive 'CCDC 1053394'
#Added by publCIF



_audit_update_record             
;
2015-03-11 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_publcif_datablock.id            {cb9c9b7b-380e-4c7a-9520-2aafd9bfaeb9}

_diffrn_radiation_monochromator  'HELIOS optics'
#Added by publCIF




_symmetry_space_group_name_hall  '-P 1'
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H18 F6 O6'
_chemical_formula_sum            'C24 H18 F6 O6'
_chemical_formula_weight         516.38

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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   8.917(3)
_cell_length_b                   11.888(4)
_cell_length_c                   12.165(4)
_cell_angle_alpha                62.137(7)
_cell_angle_beta                 81.719(7)
_cell_angle_gamma                78.834(7)
_cell_volume                     1116.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      30.22

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             528
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.142
_shelx_estimated_absorpt_T_min   0.959
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6893
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'I\mS microfocus tube'
_diffrn_measurement_device_type  
;
Bruker Kappa D8 Quest CMOS diffractometer (with an Oxford Cryosystems cryostream
cooler)
;

_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44146
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.332
_diffrn_reflns_theta_max         30.584
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6785
_reflns_number_gt                5126
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXTL Intrinsic Phasing (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_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)+(0.0513P)²+0.7561P] 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_number_reflns         6785
_refine_ls_number_parameters     327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1246
_refine_ls_wR_factor_gt          0.1144
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_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 0.04518(15) 0.32625(13) 1.06425(13) 0.0497(3) Uani 1 1 d . . . . .
F2 F -0.14717(13) 0.23688(12) 0.98247(11) 0.0482(3) Uani 1 1 d . . . . .
F3 F 0.04152(19) 0.17641(17) 0.87563(13) 0.0681(5) Uani 1 1 d . . . . .
F4 F 1.28309(13) 0.80492(10) 0.20611(11) 0.0362(3) Uani 1 1 d . . . . .
F5 F 1.56212(12) 0.87323(11) 0.18488(11) 0.0369(3) Uani 1 1 d . . . . .
F6 F 1.46010(12) 1.05414(10) 0.18743(11) 0.0342(3) Uani 1 1 d . . . . .
O1 O 0.47026(12) 0.83661(10) 0.50498(10) 0.0204(2) Uani 1 1 d . . . . .
O2 O 0.59287(11) 0.66120(10) 0.49814(10) 0.0178(2) Uani 1 1 d . . . . .
O3 O 0.81472(12) 0.54275(10) 0.61059(10) 0.0216(2) Uani 1 1 d . . . . .
O4 O 0.88490(12) 0.58073(11) 0.75338(10) 0.0227(2) Uani 1 1 d . . . . .
O5 O 0.24675(13) 0.26188(10) 0.96222(11) 0.0248(2) Uani 1 1 d . . . . .
O6 O 1.16611(12) 0.99662(11) 0.19477(10) 0.0241(2) Uani 1 1 d . . . . .
C1 C 0.57305(15) 0.74887(13) 0.54125(13) 0.0136(3) Uani 1 1 d . . . . .
C2 C 0.73861(16) 0.58359(13) 0.49865(14) 0.0170(3) Uani 1 1 d . . . . .
C3 C 0.80003(16) 0.61285(13) 0.67267(13) 0.0147(3) Uani 1 1 d . . . . .
C4 C 0.67133(15) 0.72533(13) 0.64398(13) 0.0135(3) Uani 1 1 d . . . . .
C5 C 0.56344(17) 0.69463(14) 0.76489(14) 0.0171(3) Uani 1 1 d . . . . .
H5A H 0.6256 0.6796 0.8329 0.021 Uiso 1 1 calc R U . . .
H5B H 0.4868 0.7718 0.7505 0.021 Uiso 1 1 calc R U . . .
C6 C 0.47897(16) 0.58126(14) 0.80898(13) 0.0160(3) Uani 1 1 d . . . . .
C7 C 0.32343(17) 0.59868(14) 0.79379(14) 0.0200(3) Uani 1 1 d . . . . .
H7 H 0.2716 0.6833 0.7491 0.024 Uiso 1 1 calc R U . . .
C8 C 0.24137(17) 0.49517(15) 0.84245(14) 0.0205(3) Uani 1 1 d . . . . .
H8 H 0.1348 0.5084 0.8318 0.025 Uiso 1 1 calc R U . . .
C9 C 0.31885(17) 0.37313(14) 0.90640(13) 0.0183(3) Uani 1 1 d . . . . .
C10 C 0.47410(17) 0.35148(14) 0.92145(14) 0.0207(3) Uani 1 1 d . . . . .
H10 H 0.5258 0.2664 0.9642 0.025 Uiso 1 1 calc R U . . .
C11 C 0.55335(17) 0.45576(14) 0.87319(14) 0.0196(3) Uani 1 1 d . . . . .
H11 H 0.6600 0.4417 0.8839 0.024 Uiso 1 1 calc R U . . .
C12 C 0.09543(18) 0.27703(15) 0.98589(14) 0.0212(3) Uani 1 1 d . . . . .
C13 C 0.0006(2) 0.23467(19) 0.94717(16) 0.0323(4) Uani 1 1 d . . . . .
C14 C 0.73787(16) 0.84816(13) 0.61465(14) 0.0161(3) Uani 1 1 d . . . . .
H14A H 0.6524 0.9198 0.5985 0.019 Uiso 1 1 calc R U . . .
H14B H 0.7870 0.8336 0.6891 0.019 Uiso 1 1 calc R U . . .
C15 C 0.85344(16) 0.88801(13) 0.50465(13) 0.0149(3) Uani 1 1 d . . . . .
C16 C 1.00814(16) 0.83932(13) 0.51984(14) 0.0160(3) Uani 1 1 d . . . . .
H16 H 1.0411 0.7817 0.6009 0.019 Uiso 1 1 calc R U . . .
C17 C 1.11552(16) 0.87314(13) 0.41898(14) 0.0169(3) Uani 1 1 d . . . . .
H17 H 1.2210 0.8401 0.4304 0.020 Uiso 1 1 calc R U . . .
C18 C 1.06505(17) 0.95587(13) 0.30189(14) 0.0177(3) Uani 1 1 d . . . . .
C19 C 0.91262(17) 1.00748(14) 0.28323(14) 0.0207(3) Uani 1 1 d . . . . .
H19 H 0.8805 1.0653 0.2019 0.025 Uiso 1 1 calc R U . . .
C20 C 0.80748(17) 0.97353(13) 0.38509(14) 0.0186(3) Uani 1 1 d . . . . .
H20 H 0.7026 1.0090 0.3733 0.022 Uiso 1 1 calc R U . . .
C21 C 1.29756(18) 0.91778(15) 0.19997(15) 0.0217(3) Uani 1 1 d . . . . .
C22 C 1.43414(18) 0.94654(16) 0.19211(15) 0.0234(3) Uani 1 1 d . . . . .
C23 C 0.7059(2) 0.46272(15) 0.50167(17) 0.0267(3) Uani 1 1 d . . . . .
H23A H 0.6420 0.4177 0.5770 0.040 Uiso 1 1 calc R U . . .
H23B H 0.8026 0.4068 0.5020 0.040 Uiso 1 1 calc R U . . .
H23C H 0.6519 0.4848 0.4279 0.040 Uiso 1 1 calc R U . . .
C24 C 0.83768(18) 0.65947(15) 0.38641(15) 0.0216(3) Uani 1 1 d . . . . .
H24A H 0.7855 0.6863 0.3105 0.032 Uiso 1 1 calc R U . . .
H24B H 0.9355 0.6058 0.3846 0.032 Uiso 1 1 calc R U . . .
H24C H 0.8564 0.7356 0.3911 0.032 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 C12 1.3225(19) . ?
F2 C13 1.325(2) . ?
F3 C13 1.321(2) . ?
F4 C21 1.3391(18) . ?
F5 C22 1.3142(19) . ?
F6 C22 1.3176(19) . ?
O1 C1 1.1995(17) . ?
O2 C1 1.3436(17) . ?
O2 C2 1.4397(17) . ?
O3 C3 1.3415(18) . ?
O3 C2 1.4391(18) . ?
O4 C3 1.1976(18) . ?
O5 C12 1.3336(19) . ?
O5 C9 1.4099(18) . ?
O6 C21 1.3405(19) . ?
O6 C18 1.4091(18) . ?
C1 C4 1.5171(19) . ?
C2 C23 1.504(2) . ?
C2 C24 1.506(2) . ?
C3 C4 1.5204(19) . ?
C4 C14 1.5490(19) . ?
C4 C5 1.565(2) . ?
C5 C6 1.508(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.388(2) . ?
C6 C11 1.397(2) . ?
C7 C8 1.394(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.378(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(2) . ?
C10 C11 1.386(2) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.301(2) . ?
C14 C15 1.509(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.392(2) . ?
C15 C20 1.395(2) . ?
C16 C17 1.391(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.379(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(2) . ?
C19 C20 1.386(2) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.306(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
C1 O2 C2 121.79(11) . . ?
C3 O3 C2 123.44(11) . . ?
C12 O5 C9 117.51(12) . . ?
C21 O6 C18 116.39(12) . . ?
O1 C1 O2 118.94(13) . . ?
O1 C1 C4 122.34(13) . . ?
O2 C1 C4 118.41(12) . . ?
O3 C2 O2 111.58(11) . . ?
O3 C2 C23 105.76(12) . . ?
O2 C2 C23 106.76(12) . . ?
O3 C2 C24 109.92(12) . . ?
O2 C2 C24 109.20(12) . . ?
C23 C2 C24 113.59(13) . . ?
O4 C3 O3 118.53(13) . . ?
O4 C3 C4 122.02(13) . . ?
O3 C3 C4 119.35(12) . . ?
C1 C4 C3 114.35(11) . . ?
C1 C4 C14 111.01(11) . . ?
C3 C4 C14 109.68(11) . . ?
C1 C4 C5 107.01(11) . . ?
C3 C4 C5 107.58(11) . . ?
C14 C4 C5 106.86(11) . . ?
C6 C5 C4 116.65(12) . . ?
C6 C5 H5A 108.1 . . ?
C4 C5 H5A 108.1 . . ?
C6 C5 H5B 108.1 . . ?
C4 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C7 C6 C11 118.14(13) . . ?
C7 C6 C5 121.05(13) . . ?
C11 C6 C5 120.69(13) . . ?
C6 C7 C8 121.69(14) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C9 C8 C7 118.25(14) . . ?
C9 C8 H8 120.9 . . ?
C7 C8 H8 120.9 . . ?
C8 C9 C10 121.86(14) . . ?
C8 C9 O5 123.09(14) . . ?
C10 C9 O5 115.05(13) . . ?
C9 C10 C11 118.98(14) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C10 C11 C6 121.06(14) . . ?
C10 C11 H11 119.5 . . ?
C6 C11 H11 119.5 . . ?
C13 C12 F1 119.83(16) . . ?
C13 C12 O5 123.85(16) . . ?
F1 C12 O5 115.93(14) . . ?
C12 C13 F3 124.22(18) . . ?
C12 C13 F2 123.59(18) . . ?
F3 C13 F2 112.03(16) . . ?
C15 C14 C4 114.45(11) . . ?
C15 C14 H14A 108.6 . . ?
C4 C14 H14A 108.6 . . ?
C15 C14 H14B 108.6 . . ?
C4 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
C16 C15 C20 118.42(13) . . ?
C16 C15 C14 120.82(13) . . ?
C20 C15 C14 120.76(13) . . ?
C17 C16 C15 121.46(13) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 118.35(13) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C17 C18 C19 121.88(14) . . ?
C17 C18 O6 122.15(13) . . ?
C19 C18 O6 115.93(13) . . ?
C18 C19 C20 118.91(14) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C19 C20 C15 120.96(14) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
C22 C21 F4 119.49(14) . . ?
C22 C21 O6 125.01(15) . . ?
F4 C21 O6 115.36(14) . . ?
C21 C22 F5 124.17(15) . . ?
C21 C22 F6 123.99(15) . . ?
F5 C22 F6 111.82(14) . . ?
C2 C23 H23A 109.5 . . ?
C2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C2 C24 H24A 109.5 . . ?
C2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
C2 O2 C1 O1 156.71(13) . . . . ?
C2 O2 C1 C4 -29.56(18) . . . . ?
C3 O3 C2 O2 -31.74(18) . . . . ?
C3 O3 C2 C23 -147.45(13) . . . . ?
C3 O3 C2 C24 89.55(16) . . . . ?
C1 O2 C2 O3 39.62(17) . . . . ?
C1 O2 C2 C23 154.72(13) . . . . ?
C1 O2 C2 C24 -82.09(16) . . . . ?
C2 O3 C3 O4 -168.82(13) . . . . ?
C2 O3 C3 C4 14.66(19) . . . . ?
O1 C1 C4 C3 -177.43(13) . . . . ?
O2 C1 C4 C3 9.06(17) . . . . ?
O1 C1 C4 C14 -52.70(18) . . . . ?
O2 C1 C4 C14 133.79(13) . . . . ?
O1 C1 C4 C5 63.54(17) . . . . ?
O2 C1 C4 C5 -109.96(13) . . . . ?
O4 C3 C4 C1 -178.25(13) . . . . ?
O3 C3 C4 C1 -1.86(18) . . . . ?
O4 C3 C4 C14 56.32(17) . . . . ?
O3 C3 C4 C14 -127.29(13) . . . . ?
O4 C3 C4 C5 -59.55(17) . . . . ?
O3 C3 C4 C5 116.84(14) . . . . ?
C1 C4 C5 C6 58.35(15) . . . . ?
C3 C4 C5 C6 -64.97(16) . . . . ?
C14 C4 C5 C6 177.32(12) . . . . ?
C4 C5 C6 C7 -105.68(16) . . . . ?
C4 C5 C6 C11 78.30(17) . . . . ?
C11 C6 C7 C8 1.1(2) . . . . ?
C5 C6 C7 C8 -175.03(14) . . . . ?
C6 C7 C8 C9 -0.3(2) . . . . ?
C7 C8 C9 C10 -1.0(2) . . . . ?
C7 C8 C9 O5 178.32(14) . . . . ?
C12 O5 C9 C8 -20.1(2) . . . . ?
C12 O5 C9 C10 159.19(14) . . . . ?
C8 C9 C10 C11 1.5(2) . . . . ?
O5 C9 C10 C11 -177.88(13) . . . . ?
C9 C10 C11 C6 -0.7(2) . . . . ?
C7 C6 C11 C10 -0.6(2) . . . . ?
C5 C6 C11 C10 175.55(14) . . . . ?
C9 O5 C12 C13 125.77(17) . . . . ?
C9 O5 C12 F1 -61.53(19) . . . . ?
F1 C12 C13 F3 -175.37(17) . . . . ?
O5 C12 C13 F3 -2.9(3) . . . . ?
F1 C12 C13 F2 -0.4(3) . . . . ?
O5 C12 C13 F2 172.03(15) . . . . ?
C1 C4 C14 C15 -67.37(15) . . . . ?
C3 C4 C14 C15 59.96(16) . . . . ?
C5 C4 C14 C15 176.29(12) . . . . ?
C4 C14 C15 C16 -88.01(16) . . . . ?
C4 C14 C15 C20 91.32(16) . . . . ?
C20 C15 C16 C17 -0.7(2) . . . . ?
C14 C15 C16 C17 178.67(13) . . . . ?
C15 C16 C17 C18 -0.7(2) . . . . ?
C16 C17 C18 C19 1.5(2) . . . . ?
C16 C17 C18 O6 179.09(13) . . . . ?
C21 O6 C18 C17 25.7(2) . . . . ?
C21 O6 C18 C19 -156.55(14) . . . . ?
C17 C18 C19 C20 -0.9(2) . . . . ?
O6 C18 C19 C20 -178.66(13) . . . . ?
C18 C19 C20 C15 -0.5(2) . . . . ?
C16 C15 C20 C19 1.3(2) . . . . ?
C14 C15 C20 C19 -178.08(13) . . . . ?
C18 O6 C21 C22 -117.40(18) . . . . ?
C18 O6 C21 F4 66.81(18) . . . . ?
F4 C21 C22 F5 2.7(3) . . . . ?
O6 C21 C22 F5 -172.90(15) . . . . ?
F4 C21 C22 F6 -178.99(15) . . . . ?
O6 C21 C22 F6 5.4(3) . . . . ?

_refine_diff_density_max         0.942
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.060



