data_mo_221108179663_b_2_0m
_audit_creation_date               2022-11-15
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C48 H52 O8'
_chemical_formula_sum              'C48 H52 O8'
_chemical_formula_weight           756.89
_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' 0.0033 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'

_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        'orthorhombic'
_space_group_IT_number             60
_space_group_name_H-M_alt          'P b c n'
_space_group_name_Hall             '-P 2n 2ab'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y+1/2, z+1/2'
 '-x, y, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y-1/2, -z-1/2'
 'x, -y, z-1/2'
 '-x-1/2, y-1/2, z'

_cell_length_a                     25.3877(18)
_cell_length_b                     9.6540(7)
_cell_length_c                     16.0766(12)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3940.3(5)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      5740
_cell_measurement_temperature      170.00
_cell_measurement_theta_max        26.61
_cell_measurement_theta_min        2.53
_shelx_estimated_absorpt_T_max     0.997
_shelx_estimated_absorpt_T_min     0.994
_exptl_absorpt_coefficient_mu      0.086
_exptl_absorpt_correction_T_max    0.7455
_exptl_absorpt_correction_T_min    0.6666
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0986 before and 0.0711 after correction.
The Ratio of minimum to maximum transmission is 0.8942.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.276
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               1616
_exptl_crystal_size_max            0.07
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.03
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1077
_diffrn_reflns_av_unetI/netI       0.0403
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.996
_diffrn_reflns_limit_h_max         32
_diffrn_reflns_limit_h_min         -32
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         20
_diffrn_reflns_limit_l_min         -17
_diffrn_reflns_number              55874
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.150
_diffrn_reflns_theta_min           2.257
_diffrn_ambient_temperature        170.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.996
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2799
_reflns_number_total               4366
_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         'SAINT V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.281
_refine_diff_density_min           -0.234
_refine_diff_density_rms           0.063
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.028
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       267
_refine_ls_number_reflns           4366
_refine_ls_number_restraints       20
_refine_ls_R_factor_all            0.0985
_refine_ls_R_factor_gt             0.0562
_refine_ls_restrained_S_all        1.030
_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)+(0.0558P)²+1.9171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1212
_refine_ls_wR_factor_ref           0.1458
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 O4-C23 \\sim O4-C23A
 with sigma of 0.02
 C24-C23 \\sim C24-C23A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O4 \\sim C23 \\sim C23A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
4. Others
 Sof(H24d)=Sof(H24e)=Sof(H24f)=Sof(C23A)=Sof(H23c)=Sof(H23d)=1-FVAR(1)
 Sof(H24a)=Sof(H24b)=Sof(H24c)=Sof(C23)=Sof(H23a)=Sof(H23b)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C9(H9a,H9b), C20(H20a,H20b), C22(H22a,H22b), C23(H23a,H23b), C23A(H23c,H23d)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C12(H12), C13(H13), C16(H16), C17(H17)
5.c Idealised Me refined as rotating group:
 C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C21(H21a,H21b,H21c), C24(H24a,H24b,H24c),
 C24(H24d,H24e,H24f)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_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
 O1 O 0.28327(6) 0.20392(17) 0.89476(9) 0.0405(4) Uani 1 1 d . . . . .
 O2 O 0.28344(6) 0.25527(16) 0.59382(9) 0.0388(4) Uani 1 1 d . . . . .
 O3 O 0.39735(5) 0.69714(15) 0.62666(10) 0.0390(4) Uani 1 1 d . . . . .
 O4 O 0.59353(6) 0.08897(17) 0.57831(11) 0.0493(4) Uani 1 1 d D U . . .
 C1 C 0.30328(7) 0.2785(2) 0.67224(12) 0.0297(4) Uani 1 1 d . . . . .
 C2 C 0.28117(8) 0.2232(2) 0.74404(13) 0.0321(5) Uani 1 1 d . . . . .
 H2 H 0.250797 0.166018 0.740619 0.039 Uiso 1 1 calc R U . . .
 C3 C 0.30387(8) 0.2522(2) 0.82116(12) 0.0309(5) Uani 1 1 d . . . . .
 C4 C 0.34919(7) 0.3334(2) 0.82702(12) 0.0286(4) Uani 1 1 d . . . . .
 C5 C 0.36999(8) 0.3861(2) 0.75349(12) 0.0283(4) Uani 1 1 d . . . . .
 H5 H 0.400918 0.441221 0.756745 0.034 Uiso 1 1 calc R U . . .
 C6 C 0.34806(7) 0.3626(2) 0.67547(12) 0.0280(4) Uani 1 1 d . . . . .
 C7 C 0.23999(9) 0.1105(3) 0.89106(15) 0.0473(6) Uani 1 1 d . . . . .
 H7A H 0.250581 0.026483 0.861218 0.071 Uiso 1 1 calc R U . . .
 H7B H 0.210576 0.154586 0.861771 0.071 Uiso 1 1 calc R U . . .
 H7C H 0.229006 0.086106 0.947626 0.071 Uiso 1 1 calc R U . . .
 C8 C 0.24327(9) 0.1525(2) 0.58528(14) 0.0406(5) Uani 1 1 d . . . . .
 H8A H 0.233708 0.143149 0.526494 0.061 Uiso 1 1 calc R U . . .
 H8B H 0.212199 0.180351 0.617358 0.061 Uiso 1 1 calc R U . . .
 H8C H 0.256364 0.063554 0.606146 0.061 Uiso 1 1 calc R U . . .
 C9 C 0.37141(7) 0.4233(2) 0.59692(12) 0.0293(4) Uani 1 1 d . . . . .
 H9A H 0.369502 0.352833 0.552307 0.035 Uiso 1 1 calc R U . . .
 H9B H 0.349559 0.503123 0.579437 0.035 Uiso 1 1 calc R U . . .
 C10 C 0.42789(8) 0.4711(2) 0.60507(12) 0.0291(4) Uani 1 1 d . . . . .
 C11 C 0.43951(8) 0.6082(2) 0.61819(12) 0.0309(5) Uani 1 1 d . . . . .
 C12 C 0.49237(8) 0.6530(2) 0.62273(13) 0.0341(5) Uani 1 1 d . . . . .
 H12 H 0.499854 0.748046 0.632391 0.041 Uiso 1 1 calc R U . . .
 C13 C 0.53267(8) 0.5617(2) 0.61344(12) 0.0325(5) Uani 1 1 d . . . . .
 H13 H 0.567860 0.595051 0.615122 0.039 Uiso 1 1 calc R U . . .
 C14 C 0.52377(8) 0.4180(2) 0.60132(12) 0.0281(4) Uani 1 1 d . . . . .
 C15 C 0.46990(8) 0.3741(2) 0.59934(12) 0.0286(4) Uani 1 1 d . . . . .
 C16 C 0.45992(9) 0.2300(2) 0.59211(14) 0.0371(5) Uani 1 1 d . . . . .
 H16 H 0.424558 0.197847 0.590977 0.045 Uiso 1 1 calc R U . . .
 C17 C 0.49999(8) 0.1372(2) 0.58679(15) 0.0408(5) Uani 1 1 d . . . . .
 H17 H 0.492416 0.041018 0.582904 0.049 Uiso 1 1 calc R U . . .
 C18 C 0.55250(8) 0.1825(2) 0.58700(14) 0.0362(5) Uani 1 1 d . . . . .
 C19 C 0.56540(8) 0.3203(2) 0.59278(12) 0.0302(5) Uani 1 1 d . . . . .
 C20 C 0.40798(9) 0.8417(2) 0.63295(18) 0.0470(6) Uani 1 1 d . . . . .
 H20A H 0.429822 0.872516 0.585409 0.056 Uiso 1 1 calc R U . . .
 H20B H 0.427280 0.861788 0.685079 0.056 Uiso 1 1 calc R U . . .
 C21 C 0.35578(10) 0.9160(3) 0.6325(2) 0.0659(8) Uani 1 1 d . . . . .
 H21A H 0.338028 0.899978 0.579246 0.099 Uiso 1 1 calc R U . . .
 H21B H 0.361616 1.015546 0.640118 0.099 Uiso 1 1 calc R U . . .
 H21C H 0.333753 0.880811 0.677892 0.099 Uiso 1 1 calc R U . . .
 C22 C 0.62323(8) 0.3610(2) 0.59074(12) 0.0314(5) Uani 1 1 d . . . . .
 H22A H 0.641188 0.308365 0.546146 0.038 Uiso 1 1 calc R U . . .
 H22B H 0.626103 0.460769 0.577237 0.038 Uiso 1 1 calc R U . . .
 C24 C 0.63676(13) -0.1187(3) 0.6139(2) 0.0822(11) Uani 1 1 d D . . . .
 H24A H 0.652671 -0.132049 0.558900 0.123 Uiso 0.544(13) 1 calc R U P A 1
 H24B H 0.630703 -0.209025 0.639950 0.123 Uiso 0.544(13) 1 calc R U P A 1
 H24C H 0.660546 -0.063746 0.648745 0.123 Uiso 0.544(13) 1 calc R U P A 1
 H24D H 0.619210 -0.186766 0.578138 0.123 Uiso 0.456(13) 1 calc R U P A 2
 H24E H 0.652147 -0.165799 0.662075 0.123 Uiso 0.456(13) 1 calc R U P A 2
 H24F H 0.664675 -0.072156 0.582353 0.123 Uiso 0.456(13) 1 calc R U P A 2
 C23 C 0.5873(2) -0.0470(6) 0.6050(6) 0.0485(17) Uani 0.544(13) 1 d D U P A 1
 H23A H 0.565053 -0.097434 0.564565 0.058 Uiso 0.544(13) 1 calc R U P A 1
 H23B H 0.568818 -0.047088 0.659197 0.058 Uiso 0.544(13) 1 calc R U P A 1
 C23A C 0.5962(3) -0.0104(9) 0.6438(7) 0.054(2) Uani 0.456(13) 1 d D U P A 2
 H23C H 0.561388 -0.054025 0.653067 0.065 Uiso 0.456(13) 1 calc R U P A 2
 H23D H 0.607946 0.033517 0.696254 0.065 Uiso 0.456(13) 1 calc R U P A 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
 O1 C3 1.375(2) . ?
 O1 C7 1.423(3) . ?
 O2 C1 1.376(2) . ?
 O2 C8 1.429(2) . ?
 O3 C11 1.379(2) . ?
 O3 C20 1.425(3) . ?
 O4 C18 1.385(3) . ?
 O4 C23 1.390(5) . ?
 O4 C23A 1.426(7) . ?
 C1 C2 1.390(3) . ?
 C1 C6 1.398(3) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.396(3) . ?
 C3 C4 1.395(3) . ?
 C4 C5 1.391(3) . ?
 C4 C22 1.520(3) 3_656 ?
 C5 H5 0.9500 . ?
 C5 C6 1.391(3) . ?
 C6 C9 1.513(3) . ?
 C7 H7A 0.9800 . ?
 C7 H7B 0.9800 . ?
 C7 H7C 0.9800 . ?
 C8 H8A 0.9800 . ?
 C8 H8B 0.9800 . ?
 C8 H8C 0.9800 . ?
 C9 H9A 0.9900 . ?
 C9 H9B 0.9900 . ?
 C9 C10 1.512(3) . ?
 C10 C11 1.373(3) . ?
 C10 C15 1.422(3) . ?
 C11 C12 1.412(3) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.359(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.419(3) . ?
 C14 C15 1.432(3) . ?
 C14 C19 1.424(3) . ?
 C15 C16 1.419(3) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.359(3) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.403(3) . ?
 C18 C19 1.373(3) . ?
 C19 C22 1.520(3) . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C20 C21 1.507(3) . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 H22A 0.9900 . ?
 C22 H22B 0.9900 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C24 H24D 0.9800 . ?
 C24 H24E 0.9800 . ?
 C24 H24F 0.9800 . ?
 C24 C23 1.440(6) . ?
 C24 C23A 1.544(8) . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C23A H23C 0.9900 . ?
 C23A H23D 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
 C3 O1 C7 118.20(17) . . ?
 C1 O2 C8 117.55(16) . . ?
 C11 O3 C20 118.01(16) . . ?
 C18 O4 C23 120.0(3) . . ?
 C18 O4 C23A 113.6(3) . . ?
 O2 C1 C2 123.38(18) . . ?
 O2 C1 C6 115.25(17) . . ?
 C2 C1 C6 121.37(18) . . ?
 C1 C2 H2 120.2 . . ?
 C1 C2 C3 119.60(18) . . ?
 C3 C2 H2 120.2 . . ?
 O1 C3 C2 122.66(18) . . ?
 O1 C3 C4 116.48(18) . . ?
 C4 C3 C2 120.86(18) . . ?
 C3 C4 C22 122.50(17) . 3_656 ?
 C5 C4 C3 117.47(18) . . ?
 C5 C4 C22 120.00(17) . 3_656 ?
 C4 C5 H5 118.2 . . ?
 C6 C5 C4 123.68(18) . . ?
 C6 C5 H5 118.2 . . ?
 C1 C6 C9 120.84(17) . . ?
 C5 C6 C1 116.99(18) . . ?
 C5 C6 C9 122.18(17) . . ?
 O1 C7 H7A 109.5 . . ?
 O1 C7 H7B 109.5 . . ?
 O1 C7 H7C 109.5 . . ?
 H7A C7 H7B 109.5 . . ?
 H7A C7 H7C 109.5 . . ?
 H7B C7 H7C 109.5 . . ?
 O2 C8 H8A 109.5 . . ?
 O2 C8 H8B 109.5 . . ?
 O2 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 C6 C9 H9A 108.6 . . ?
 C6 C9 H9B 108.6 . . ?
 H9A C9 H9B 107.6 . . ?
 C10 C9 C6 114.67(16) . . ?
 C10 C9 H9A 108.6 . . ?
 C10 C9 H9B 108.6 . . ?
 C11 C10 C9 120.75(18) . . ?
 C11 C10 C15 118.93(18) . . ?
 C15 C10 C9 120.32(18) . . ?
 O3 C11 C12 122.85(18) . . ?
 C10 C11 O3 116.66(18) . . ?
 C10 C11 C12 120.49(19) . . ?
 C11 C12 H12 119.6 . . ?
 C13 C12 C11 120.78(19) . . ?
 C13 C12 H12 119.6 . . ?
 C12 C13 H13 119.0 . . ?
 C12 C13 C14 121.96(19) . . ?
 C14 C13 H13 119.0 . . ?
 C13 C14 C15 116.42(18) . . ?
 C13 C14 C19 122.90(18) . . ?
 C19 C14 C15 120.68(18) . . ?
 C10 C15 C14 121.30(18) . . ?
 C16 C15 C10 121.12(18) . . ?
 C16 C15 C14 117.58(18) . . ?
 C15 C16 H16 119.4 . . ?
 C17 C16 C15 121.2(2) . . ?
 C17 C16 H16 119.4 . . ?
 C16 C17 H17 119.8 . . ?
 C16 C17 C18 120.4(2) . . ?
 C18 C17 H17 119.8 . . ?
 O4 C18 C17 120.7(2) . . ?
 C19 C18 O4 117.31(19) . . ?
 C19 C18 C17 121.9(2) . . ?
 C14 C19 C22 123.19(18) . . ?
 C18 C19 C14 118.15(18) . . ?
 C18 C19 C22 118.65(18) . . ?
 O3 C20 H20A 110.2 . . ?
 O3 C20 H20B 110.2 . . ?
 O3 C20 C21 107.42(19) . . ?
 H20A C20 H20B 108.5 . . ?
 C21 C20 H20A 110.2 . . ?
 C21 C20 H20B 110.2 . . ?
 C20 C21 H21A 109.5 . . ?
 C20 C21 H21B 109.5 . . ?
 C20 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C4 C22 C19 112.38(16) 3_656 . ?
 C4 C22 H22A 109.1 3_656 . ?
 C4 C22 H22B 109.1 3_656 . ?
 C19 C22 H22A 109.1 . . ?
 C19 C22 H22B 109.1 . . ?
 H22A C22 H22B 107.9 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 H24D C24 H24E 109.5 . . ?
 H24D C24 H24F 109.5 . . ?
 H24E C24 H24F 109.5 . . ?
 C23 C24 H24A 109.5 . . ?
 C23 C24 H24B 109.5 . . ?
 C23 C24 H24C 109.5 . . ?
 C23A C24 H24D 109.5 . . ?
 C23A C24 H24E 109.5 . . ?
 C23A C24 H24F 109.5 . . ?
 O4 C23 C24 112.7(4) . . ?
 O4 C23 H23A 109.1 . . ?
 O4 C23 H23B 109.1 . . ?
 C24 C23 H23A 109.1 . . ?
 C24 C23 H23B 109.1 . . ?
 H23A C23 H23B 107.8 . . ?
 O4 C23A C24 104.9(5) . . ?
 O4 C23A H23C 110.8 . . ?
 O4 C23A H23D 110.8 . . ?
 C24 C23A H23C 110.8 . . ?
 C24 C23A H23D 110.8 . . ?
 H23C C23A H23D 108.8 . . ?

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 C3 C4 C5 -178.47(18) . . . . ?
 O1 C3 C4 C22 3.6(3) . . . 3_656 ?
 O2 C1 C2 C3 180.00(18) . . . . ?
 O2 C1 C6 C5 -178.63(17) . . . . ?
 O2 C1 C6 C9 0.8(3) . . . . ?
 O3 C11 C12 C13 -179.55(19) . . . . ?
 O4 C18 C19 C14 179.69(17) . . . . ?
 O4 C18 C19 C22 -1.0(3) . . . . ?
 C1 C2 C3 O1 178.23(18) . . . . ?
 C1 C2 C3 C4 -1.5(3) . . . . ?
 C1 C6 C9 C10 -161.00(18) . . . . ?
 C2 C1 C6 C5 1.2(3) . . . . ?
 C2 C1 C6 C9 -179.39(19) . . . . ?
 C2 C3 C4 C5 1.2(3) . . . . ?
 C2 C3 C4 C22 -176.69(19) . . . 3_656 ?
 C3 C4 C5 C6 0.2(3) . . . . ?
 C4 C5 C6 C1 -1.4(3) . . . . ?
 C4 C5 C6 C9 179.15(18) . . . . ?
 C5 C6 C9 C10 18.4(3) . . . . ?
 C6 C1 C2 C3 0.2(3) . . . . ?
 C6 C9 C10 C11 -98.6(2) . . . . ?
 C6 C9 C10 C15 81.3(2) . . . . ?
 C7 O1 C3 C2 5.9(3) . . . . ?
 C7 O1 C3 C4 -174.34(19) . . . . ?
 C8 O2 C1 C2 -9.9(3) . . . . ?
 C8 O2 C1 C6 169.92(18) . . . . ?
 C9 C10 C11 O3 2.5(3) . . . . ?
 C9 C10 C11 C12 -177.68(18) . . . . ?
 C9 C10 C15 C14 175.79(17) . . . . ?
 C9 C10 C15 C16 -4.7(3) . . . . ?
 C10 C11 C12 C13 0.6(3) . . . . ?
 C10 C15 C16 C17 -179.9(2) . . . . ?
 C11 O3 C20 C21 174.2(2) . . . . ?
 C11 C10 C15 C14 -4.3(3) . . . . ?
 C11 C10 C15 C16 175.20(19) . . . . ?
 C11 C12 C13 C14 -1.9(3) . . . . ?
 C12 C13 C14 C15 0.0(3) . . . . ?
 C12 C13 C14 C19 -178.97(19) . . . . ?
 C13 C14 C15 C10 3.1(3) . . . . ?
 C13 C14 C15 C16 -176.44(18) . . . . ?
 C13 C14 C19 C18 175.61(19) . . . . ?
 C13 C14 C19 C22 -3.7(3) . . . . ?
 C14 C15 C16 C17 -0.4(3) . . . . ?
 C14 C19 C22 C4 102.4(2) . . . 3_656 ?
 C15 C10 C11 O3 -177.44(17) . . . . ?
 C15 C10 C11 C12 2.4(3) . . . . ?
 C15 C14 C19 C18 -3.3(3) . . . . ?
 C15 C14 C19 C22 177.36(17) . . . . ?
 C15 C16 C17 C18 -1.0(3) . . . . ?
 C16 C17 C18 O4 -177.4(2) . . . . ?
 C16 C17 C18 C19 0.2(3) . . . . ?
 C17 C18 C19 C14 1.9(3) . . . . ?
 C17 C18 C19 C22 -178.7(2) . . . . ?
 C18 O4 C23 C24 -163.3(4) . . . . ?
 C18 O4 C23A C24 169.5(4) . . . . ?
 C18 C19 C22 C4 -76.9(2) . . . 3_656 ?
 C19 C14 C15 C10 -177.93(18) . . . . ?
 C19 C14 C15 C16 2.6(3) . . . . ?
 C20 O3 C11 C10 -174.5(2) . . . . ?
 C20 O3 C11 C12 5.6(3) . . . . ?
 C22 C4 C5 C6 178.21(18) 3_656 . . . ?
 C23 O4 C18 C17 -28.2(6) . . . . ?
 C23 O4 C18 C19 154.0(5) . . . . ?
 C23A O4 C18 C17 -62.2(6) . . . . ?
 C23A O4 C18 C19 120.0(6) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
