data_global
_audit_creation_method                  'APEX3 v2018.1-0'

_publ_requested_journal                 ?

_publ_contact_author_name               ?
_publ_contact_author_address            
;
;
_publ_contact_author_email              ?
_publ_contact_author_fax                ?
_publ_contact_author_phone              ?

_publ_section_title                     
;
;
_publ_section_abstract                  
;
;
_publ_section_references                
;
;
_publ_section_comment                   
;
;

data_szh_77b1
_chemical_name_systematic               ?
_chemical_name_common                   ?
_chemical_formula_moiety                'C32 H25 F O3'
_chemical_formula_sum                   'C32 H25 F O3'
_chemical_formula_iupac                 ?
_chemical_formula_weight                476.52
_chemical_absolute_configuration        ad

_chemical_melting_point                 ?

_space_group_crystal_system             orthorhombic
_space_group_name_H-M_alt               'P 21 21 21'
_space_group_name_Hall                  'P 2ac 2ab'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
    '-x+1/2, -y, z+1/2'

_cell_length_a                          9.8835(5)
_cell_length_b                          10.0544(5)
_cell_length_c                          23.4202(12)
_cell_angle_alpha                       90
_cell_angle_beta                        90
_cell_angle_gamma                       90
_cell_volume                            2327.3(2)
_cell_formula_units_Z                   4
_cell_measurement_reflns_used           9814
_cell_measurement_theta_min             3.7747
_cell_measurement_theta_max             72.4804
_cell_measurement_temperature           100.(2)

_exptl_crystal_description              plate
_exptl_crystal_colour                   'translucent light colourless'
_exptl_crystal_size_max                 0.500
_exptl_crystal_size_mid                 0.400
_exptl_crystal_size_min                 0.170
_exptl_crystal_density_diffrn           1.360
_exptl_crystal_density_meas             ?
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    1000

_exptl_absorpt_coefficient_mu           0.740
_exptl_absorpt_correction_type          Multi-Scan
_exptl_absorpt_process_details          
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min         0.71
_exptl_absorpt_correction_T_max         0.89

_exptl_special_details                  
;
; 

_diffrn_ambient_temperature             100.(2)

_diffrn_source                          'Ius Diamond'
_diffrn_source_type                     Microfocus

_diffrn_radiation_type                  'Cu K\a'
_diffrn_radiation_wavelength            1.54178
_diffrn_radiation_monochromator         'Helixos MX multilayer Optic'

_diffrn_measurement_device_type         'Bruker D8 QUEST PHOTON II'
_diffrn_measurement_method              ?

_diffrn_detector_area_resol_mean        7.3910

_diffrn_reflns_number                   22832
_diffrn_reflns_av_R_equivalents         0.0479
_diffrn_reflns_av_unetI/netI            0.0333
_diffrn_reflns_theta_min                3.77
_diffrn_reflns_theta_max                72.56
_diffrn_reflns_theta_full               72.56
_diffrn_measured_fraction_theta_max     0.985
_diffrn_measured_fraction_theta_full    0.985
_diffrn_reflns_limit_h_min              -12
_diffrn_reflns_limit_h_max              12
_diffrn_reflns_limit_k_min              -12
_diffrn_reflns_limit_k_max              11
_diffrn_reflns_limit_l_min              -27
_diffrn_reflns_limit_l_max              28

_refine_special_details                 
;
;

_reflns_number_total                    4565
_reflns_number_gt                       4547
_reflns_threshold_expression            'I > 2σ(I)'

_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_R_factor_all                 0.0736
_refine_ls_R_factor_gt                  0.0633
_refine_ls_wR_factor_gt                 0.1893
_refine_ls_wR_factor_ref                0.1990
_refine_ls_goodness_of_fit_ref          1.846
_refine_ls_restrained_S_all             1.846
_refine_ls_number_reflns                4565
_refine_ls_number_parameters            328
_refine_ls_number_restraints            0
_refine_ls_number_constraints           ?
_refine_ls_hydrogen_treatment           constr
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details            
    'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens          geom
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?

_refine_ls_shift/su_max                 0.000
_refine_ls_shift/su_mean                0.000
_refine_diff_density_max                0.901
_refine_diff_density_min                -0.718
_refine_ls_extinction_method            'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_extinction_coef              0.046(5)
_refine_ls_abs_structure_details        
;

Flack x determined using 1918 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack          0.15(6)

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'
    O O 0.0492 0.0322 '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'

_computing_data_collection              'Bruker Instrument Service vV6.2.9'
_computing_cell_refinement              'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction               'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution           'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement         'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics           'shelXle (C.B. Huebschle, rev 882)'
_computing_publication_material         ?

loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_refinement_flags_posn
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O2 0.2017(2) 0.5686(2) 0.43453(9) 0.0236(5) Uani d . . . 1 . .
    O O3 0.5664(3) 0.6242(3) 0.40111(11) 0.0312(6) Uani d . . . 1 . .
    H H25 0.643272 0.638305 0.415179 0.047 Uiso calc U . R 1 . .
    O O1 -0.2245(3) 0.4816(3) 0.13600(11) 0.0376(7) Uani d . . . 1 . .
    F F1 0.5005(2) 0.4060(2) 0.13245(9) 0.0386(6) Uani d . . . 1 . .
    C C1 0.8197(4) 0.2009(4) 0.45221(15) 0.0323(8) Uani d . . . 1 . .
    H H1 0.883065 0.134789 0.46336 0.039 Uiso calc U . R 1 . .
    C C2 0.6889(4) 0.1671(4) 0.44441(15) 0.0337(8) Uani d . . . 1 . .
    H H14 0.661336 0.077454 0.449839 0.04 Uiso calc U . R 1 . .
    C C3 0.5917(4) 0.2650(4) 0.42805(14) 0.0331(9) Uani d . . . 1 . .
    C C4 0.4550(4) 0.2290(4) 0.41910(15) 0.0297(8) Uani d . . . 1 . .
    H H11 0.428122 0.138598 0.422195 0.036 Uiso calc U . R 1 . .
    C C5 0.3620(4) 0.3242(4) 0.40604(14) 0.0320(8) Uani d . . . 1 . .
    H H10 0.270111 0.299405 0.400704 0.038 Uiso calc U . R 1 . .
    C C6 0.4003(4) 0.4611(4) 0.40020(13) 0.0275(8) Uani d . . . 1 . .
    C C7 0.2930(3) 0.5640(3) 0.38574(12) 0.0237(7) Uani d . . . 1 . .
    H H19 0.336765 0.652871 0.380615 0.028 Uiso calc U . R 1 . .
    C C8 0.2101(3) 0.5298(3) 0.33233(13) 0.0205(6) Uani d . . . 1 . .
    H H20 0.152955 0.450531 0.341541 0.025 Uiso calc U . R 1 . .
    C C9 0.1138(3) 0.6475(3) 0.31944(12) 0.0204(7) Uani d . . . 1 . .
    H H9 0.170523 0.724324 0.306654 0.024 Uiso calc U . R 1 . .
    C C10 0.0181(3) 0.6115(3) 0.27051(12) 0.0196(6) Uani d . . . 1 . .
    C C11 0.0493(3) 0.6512(3) 0.21479(13) 0.0234(7) Uani d . . . 1 . .
    H H6 0.125577 0.706675 0.208371 0.028 Uiso calc U . R 1 . .
    C C12 -0.0291(4) 0.6109(4) 0.16862(13) 0.0268(7) Uani d . . . 1 . .
    H H5 -0.00569 0.637554 0.130982 0.032 Uiso calc U . R 1 . .
    C C13 -0.1427(4) 0.5306(4) 0.17803(14) 0.0270(7) Uani d . . . 1 . .
    C C14 -0.1828(4) 0.4995(4) 0.07796(15) 0.0350(9) Uani d . . . 1 . .
    H H4 -0.175968 0.594769 0.069567 0.053 Uiso calc U . R 1 . .
    H H3 -0.249424 0.458667 0.052413 0.053 Uiso calc U . R 1 . .
    H H2 -0.094424 0.457393 0.072169 0.053 Uiso calc U . R 1 . .
    C C15 -0.0976(3) 0.5331(3) 0.27924(13) 0.0224(7) Uani d . . . 1 . .
    H H7 -0.121678 0.506844 0.316858 0.027 Uiso calc U . R 1 . .
    C C16 -0.1771(3) 0.4935(4) 0.23350(14) 0.0259(7) Uani d . . . 1 . .
    H H8 -0.255362 0.440853 0.240014 0.031 Uiso calc U . R 1 . .
    C C17 0.6365(4) 0.3977(3) 0.42146(12) 0.0243(7) Uani d . . . 1 . .
    C C18 0.7721(4) 0.4311(4) 0.42922(14) 0.0297(8) Uani d . . . 1 . .
    H H12 0.800893 0.520545 0.424332 0.036 Uiso calc U . R 1 . .
    C C19 0.8644(4) 0.3343(4) 0.44401(15) 0.0326(8) Uani d . . . 1 . .
    H H13 0.957219 0.356358 0.448696 0.039 Uiso calc U . R 1 . .
    C C20 0.5335(4) 0.4961(4) 0.40818(13) 0.0254(7) Uani d . . . 1 . .
    C C21 0.0872(3) 0.6462(3) 0.42749(13) 0.0222(7) Uani d . . . 1 . .
    C C22 0.0196(3) 0.6818(3) 0.47732(14) 0.0247(7) Uani d . . . 1 . .
    H H15 0.051579 0.651574 0.513308 0.03 Uiso calc U . R 1 . .
    C C23 -0.0952(4) 0.7621(3) 0.47421(14) 0.0260(7) Uani d . . . 1 . .
    H H18 -0.142229 0.785469 0.50814 0.031 Uiso calc U . R 1 . .
    C C24 -0.1411(4) 0.8082(4) 0.42172(14) 0.0281(8) Uani d . . . 1 . .
    H H16 -0.218179 0.864517 0.41958 0.034 Uiso calc U . R 1 . .
    C C25 -0.0719(4) 0.7704(3) 0.37184(13) 0.0242(7) Uani d . . . 1 . .
    H H17 -0.103358 0.801279 0.335868 0.029 Uiso calc U . R 1 . .
    C C26 0.0419(3) 0.6885(3) 0.37406(13) 0.0208(6) Uani d . . . 1 . .
    C C27 0.2969(3) 0.4946(3) 0.28150(12) 0.0209(7) Uani d . . . 1 . .
    C C28 0.3847(3) 0.5865(3) 0.25670(13) 0.0234(7) Uani d . . . 1 . .
    H H24 0.396268 0.670885 0.274323 0.028 Uiso calc U . R 1 . .
    C C29 0.4559(3) 0.5584(4) 0.20700(14) 0.0268(7) Uani d . . . 1 . .
    H H21 0.514118 0.622499 0.190186 0.032 Uiso calc U . R 1 . .
    C C30 0.4392(3) 0.4339(4) 0.18276(13) 0.0261(7) Uani d . . . 1 . .
    C C31 0.3593(3) 0.3385(3) 0.20734(14) 0.0242(7) Uani d . . . 1 . .
    H H22 0.353205 0.252584 0.190678 0.029 Uiso calc U . R 1 . .
    C C32 0.2869(3) 0.3678(3) 0.25695(13) 0.0231(7) Uani d . . . 1 . .
    H H23 0.231024 0.30202 0.274021 0.028 Uiso calc U . R 1 . .


_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O2 C21 . 1.385(4) ?
    O2 C7 . 1.457(4) ?
    O3 C20 . 1.339(5) ?
    O3 H25 . 0.84 ?
    O1 C13 . 1.366(4) ?
    O1 C14 . 1.432(5) ?
    F1 C30 . 1.354(3) ?
    C1 C2 . 1.349(6) ?
    C1 C19 . 1.425(6) ?
    C1 H1 . 0.95 ?
    C2 C3 . 1.428(6) ?
    C2 H14 . 0.95 ?
    C3 C17 . 1.414(5) ?
    C3 C4 . 1.414(6) ?
    C4 C5 . 1.361(5) ?
    C4 H11 . 0.95 ?
    C5 C6 . 1.435(6) ?
    C5 H10 . 0.95 ?
    C6 C20 . 1.375(5) ?
    C6 C7 . 1.519(5) ?
    C7 C8 . 1.535(4) ?
    C7 H19 . 1.0 ?
    C8 C27 . 1.510(4) ?
    C8 C9 . 1.548(4) ?
    C8 H20 . 1.0 ?
    C9 C26 . 1.520(4) ?
    C9 C10 . 1.530(4) ?
    C9 H9 . 1.0 ?
    C10 C11 . 1.399(4) ?
    C10 C15 . 1.404(4) ?
    C11 C12 . 1.390(5) ?
    C11 H6 . 0.95 ?
    C12 C13 . 1.400(5) ?
    C12 H5 . 0.95 ?
    C13 C16 . 1.394(5) ?
    C14 H4 . 0.98 ?
    C14 H3 . 0.98 ?
    C14 H2 . 0.98 ?
    C15 C16 . 1.386(4) ?
    C15 H7 . 0.95 ?
    C16 H8 . 0.95 ?
    C17 C18 . 1.394(5) ?
    C17 C20 . 1.453(5) ?
    C18 C19 . 1.378(5) ?
    C18 H12 . 0.95 ?
    C19 H13 . 0.95 ?
    C21 C22 . 1.391(4) ?
    C21 C26 . 1.395(4) ?
    C22 C23 . 1.395(5) ?
    C22 H15 . 0.95 ?
    C23 C24 . 1.390(5) ?
    C23 H18 . 0.95 ?
    C24 C25 . 1.406(4) ?
    C24 H16 . 0.95 ?
    C25 C26 . 1.396(4) ?
    C25 H17 . 0.95 ?
    C27 C28 . 1.395(4) ?
    C27 C32 . 1.402(4) ?
    C28 C29 . 1.389(4) ?
    C28 H24 . 0.95 ?
    C29 C30 . 1.384(5) ?
    C29 H21 . 0.95 ?
    C30 C31 . 1.369(5) ?
    C31 C32 . 1.396(5) ?
    C31 H22 . 0.95 ?
    C32 H23 . 0.95 ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C21 O2 C7 . . 115.5(2) ?
    C20 O3 H25 . . 109.5 ?
    C13 O1 C14 . . 117.9(3) ?
    C2 C1 C19 . . 121.1(4) ?
    C2 C1 H1 . . 119.5 ?
    C19 C1 H1 . . 119.5 ?
    C1 C2 C3 . . 120.5(4) ?
    C1 C2 H14 . . 119.8 ?
    C3 C2 H14 . . 119.8 ?
    C17 C3 C4 . . 121.6(4) ?
    C17 C3 C2 . . 118.0(4) ?
    C4 C3 C2 . . 120.4(4) ?
    C5 C4 C3 . . 119.9(4) ?
    C5 C4 H11 . . 120.0 ?
    C3 C4 H11 . . 120.0 ?
    C4 C5 C6 . . 121.2(4) ?
    C4 C5 H10 . . 119.4 ?
    C6 C5 H10 . . 119.4 ?
    C20 C6 C5 . . 119.0(3) ?
    C20 C6 C7 . . 121.6(3) ?
    C5 C6 C7 . . 119.4(3) ?
    O2 C7 C6 . . 106.2(2) ?
    O2 C7 C8 . . 108.4(2) ?
    C6 C7 C8 . . 113.7(3) ?
    O2 C7 H19 . . 109.5 ?
    C6 C7 H19 . . 109.5 ?
    C8 C7 H19 . . 109.5 ?
    C27 C8 C7 . . 113.1(3) ?
    C27 C8 C9 . . 112.0(2) ?
    C7 C8 C9 . . 108.4(2) ?
    C27 C8 H20 . . 107.7 ?
    C7 C8 H20 . . 107.7 ?
    C9 C8 H20 . . 107.7 ?
    C26 C9 C10 . . 113.9(3) ?
    C26 C9 C8 . . 109.3(2) ?
    C10 C9 C8 . . 110.2(2) ?
    C26 C9 H9 . . 107.7 ?
    C10 C9 H9 . . 107.7 ?
    C8 C9 H9 . . 107.7 ?
    C11 C10 C15 . . 118.4(3) ?
    C11 C10 C9 . . 119.7(3) ?
    C15 C10 C9 . . 121.8(3) ?
    C12 C11 C10 . . 121.3(3) ?
    C12 C11 H6 . . 119.3 ?
    C10 C11 H6 . . 119.3 ?
    C11 C12 C13 . . 119.5(3) ?
    C11 C12 H5 . . 120.3 ?
    C13 C12 H5 . . 120.3 ?
    O1 C13 C16 . . 115.5(3) ?
    O1 C13 C12 . . 124.7(3) ?
    C16 C13 C12 . . 119.8(3) ?
    O1 C14 H4 . . 109.5 ?
    O1 C14 H3 . . 109.5 ?
    H4 C14 H3 . . 109.5 ?
    O1 C14 H2 . . 109.5 ?
    H4 C14 H2 . . 109.5 ?
    H3 C14 H2 . . 109.5 ?
    C16 C15 C10 . . 120.7(3) ?
    C16 C15 H7 . . 119.7 ?
    C10 C15 H7 . . 119.7 ?
    C15 C16 C13 . . 120.4(3) ?
    C15 C16 H8 . . 119.8 ?
    C13 C16 H8 . . 119.8 ?
    C18 C17 C3 . . 121.0(3) ?
    C18 C17 C20 . . 122.5(3) ?
    C3 C17 C20 . . 116.5(3) ?
    C19 C18 C17 . . 119.9(3) ?
    C19 C18 H12 . . 120.0 ?
    C17 C18 H12 . . 120.0 ?
    C18 C19 C1 . . 119.6(4) ?
    C18 C19 H13 . . 120.2 ?
    C1 C19 H13 . . 120.2 ?
    O3 C20 C6 . . 117.5(3) ?
    O3 C20 C17 . . 120.8(3) ?
    C6 C20 C17 . . 121.7(3) ?
    O2 C21 C22 . . 115.9(3) ?
    O2 C21 C26 . . 122.7(3) ?
    C22 C21 C26 . . 121.3(3) ?
    C21 C22 C23 . . 119.7(3) ?
    C21 C22 H15 . . 120.1 ?
    C23 C22 H15 . . 120.1 ?
    C24 C23 C22 . . 120.3(3) ?
    C24 C23 H18 . . 119.8 ?
    C22 C23 H18 . . 119.8 ?
    C23 C24 C25 . . 119.1(3) ?
    C23 C24 H16 . . 120.5 ?
    C25 C24 H16 . . 120.5 ?
    C26 C25 C24 . . 121.4(3) ?
    C26 C25 H17 . . 119.3 ?
    C24 C25 H17 . . 119.3 ?
    C21 C26 C25 . . 118.1(3) ?
    C21 C26 C9 . . 121.5(3) ?
    C25 C26 C9 . . 120.4(3) ?
    C28 C27 C32 . . 118.4(3) ?
    C28 C27 C8 . . 121.8(3) ?
    C32 C27 C8 . . 119.8(3) ?
    C29 C28 C27 . . 121.9(3) ?
    C29 C28 H24 . . 119.0 ?
    C27 C28 H24 . . 119.0 ?
    C30 C29 C28 . . 117.9(3) ?
    C30 C29 H21 . . 121.0 ?
    C28 C29 H21 . . 121.0 ?
    F1 C30 C31 . . 118.6(3) ?
    F1 C30 C29 . . 119.4(3) ?
    C31 C30 C29 . . 122.0(3) ?
    C30 C31 C32 . . 119.9(3) ?
    C30 C31 H22 . . 120.1 ?
    C32 C31 H22 . . 120.1 ?
    C31 C32 C27 . . 119.8(3) ?
    C31 C32 H23 . . 120.1 ?
    C27 C32 H23 . . 120.1 ?

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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C19 C1 C2 C3 . . . . -0.4(5) ?
    C1 C2 C3 C17 . . . . -1.2(5) ?
    C1 C2 C3 C4 . . . . 179.1(3) ?
    C17 C3 C4 C5 . . . . -2.7(5) ?
    C2 C3 C4 C5 . . . . 177.0(3) ?
    C3 C4 C5 C6 . . . . 1.0(5) ?
    C4 C5 C6 C20 . . . . -0.2(5) ?
    C4 C5 C6 C7 . . . . -179.8(3) ?
    C21 O2 C7 C6 . . . . -173.1(2) ?
    C21 O2 C7 C8 . . . . -50.6(3) ?
    C20 C6 C7 O2 . . . . -113.9(3) ?
    C5 C6 C7 O2 . . . . 65.7(4) ?
    C20 C6 C7 C8 . . . . 126.9(3) ?
    C5 C6 C7 C8 . . . . -53.4(4) ?
    O2 C7 C8 C27 . . . . -168.2(2) ?
    C6 C7 C8 C27 . . . . -50.3(4) ?
    O2 C7 C8 C9 . . . . 67.0(3) ?
    C6 C7 C8 C9 . . . . -175.1(3) ?
    C27 C8 C9 C26 . . . . -173.3(2) ?
    C7 C8 C9 C26 . . . . -47.9(3) ?
    C27 C8 C9 C10 . . . . 60.8(3) ?
    C7 C8 C9 C10 . . . . -173.7(2) ?
    C26 C9 C10 C11 . . . . 140.2(3) ?
    C8 C9 C10 C11 . . . . -96.5(3) ?
    C26 C9 C10 C15 . . . . -43.3(4) ?
    C8 C9 C10 C15 . . . . 79.9(4) ?
    C15 C10 C11 C12 . . . . -2.1(5) ?
    C9 C10 C11 C12 . . . . 174.5(3) ?
    C10 C11 C12 C13 . . . . 0.9(5) ?
    C14 O1 C13 C16 . . . . -170.8(3) ?
    C14 O1 C13 C12 . . . . 7.9(5) ?
    C11 C12 C13 O1 . . . . -177.8(3) ?
    C11 C12 C13 C16 . . . . 0.8(5) ?
    C11 C10 C15 C16 . . . . 1.4(5) ?
    C9 C10 C15 C16 . . . . -175.1(3) ?
    C10 C15 C16 C13 . . . . 0.3(5) ?
    O1 C13 C16 C15 . . . . 177.3(3) ?
    C12 C13 C16 C15 . . . . -1.5(5) ?
    C4 C3 C17 C18 . . . . -178.6(3) ?
    C2 C3 C17 C18 . . . . 1.7(5) ?
    C4 C3 C17 C20 . . . . 3.3(5) ?
    C2 C3 C17 C20 . . . . -176.4(3) ?
    C3 C17 C18 C19 . . . . -0.5(5) ?
    C20 C17 C18 C19 . . . . 177.4(3) ?
    C17 C18 C19 C1 . . . . -1.1(5) ?
    C2 C1 C19 C18 . . . . 1.6(5) ?
    C5 C6 C20 O3 . . . . 178.5(3) ?
    C7 C6 C20 O3 . . . . -1.9(5) ?
    C5 C6 C20 C17 . . . . 1.0(5) ?
    C7 C6 C20 C17 . . . . -179.4(3) ?
    C18 C17 C20 O3 . . . . 2.0(5) ?
    C3 C17 C20 O3 . . . . -179.9(3) ?
    C18 C17 C20 C6 . . . . 179.5(3) ?
    C3 C17 C20 C6 . . . . -2.5(5) ?
    C7 O2 C21 C22 . . . . -162.7(3) ?
    C7 O2 C21 C26 . . . . 16.5(4) ?
    O2 C21 C22 C23 . . . . 178.7(3) ?
    C26 C21 C22 C23 . . . . -0.5(5) ?
    C21 C22 C23 C24 . . . . -0.9(5) ?
    C22 C23 C24 C25 . . . . 1.4(5) ?
    C23 C24 C25 C26 . . . . -0.4(5) ?
    O2 C21 C26 C25 . . . . -177.7(3) ?
    C22 C21 C26 C25 . . . . 1.4(5) ?
    O2 C21 C26 C9 . . . . 2.1(5) ?
    C22 C21 C26 C9 . . . . -178.8(3) ?
    C24 C25 C26 C21 . . . . -1.0(5) ?
    C24 C25 C26 C9 . . . . 179.2(3) ?
    C10 C9 C26 C21 . . . . 138.8(3) ?
    C8 C9 C26 C21 . . . . 15.1(4) ?
    C10 C9 C26 C25 . . . . -41.4(4) ?
    C8 C9 C26 C25 . . . . -165.1(3) ?
    C7 C8 C27 C28 . . . . -63.6(4) ?
    C9 C8 C27 C28 . . . . 59.3(4) ?
    C7 C8 C27 C32 . . . . 118.5(3) ?
    C9 C8 C27 C32 . . . . -118.7(3) ?
    C32 C27 C28 C29 . . . . 3.7(5) ?
    C8 C27 C28 C29 . . . . -174.3(3) ?
    C27 C28 C29 C30 . . . . -1.2(5) ?
    C28 C29 C30 F1 . . . . 176.0(3) ?
    C28 C29 C30 C31 . . . . -2.2(5) ?
    F1 C30 C31 C32 . . . . -175.2(3) ?
    C29 C30 C31 C32 . . . . 3.0(5) ?
    C30 C31 C32 C27 . . . . -0.3(5) ?
    C28 C27 C32 C31 . . . . -2.9(5) ?
    C8 C27 C32 C31 . . . . 175.1(3) ?

loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C31 H22 O3 3_645 0.95 2.63 3.411(4) 139.7 ?



