#------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/37/7103728.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7103728
loop_
_publ_author_name
'Caig I Turner'
'Rachel M. Williamson'
'Peter Turner'
'Michael S. Sherburn'
_publ_section_title
;
The domino intramolecular Diels-Alder approach to
16-oxasteroids
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/b303362g
_journal_year                    2003
_chemical_formula_sum            'C23 H28 O6'
_chemical_formula_weight         400.45
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.682(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.565(3)
_cell_length_b                   11.204(7)
_cell_length_c                   16.075(10)
_cell_measurement_reflns_used    966
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.278
_cell_measurement_theta_min      2.534
_cell_volume                     1002.2(10)
_computing_cell_refinement       'SAINT (Bruker,1995)'
_computing_data_collection       'SMART (Bruker,1995)'
_computing_data_reduction        'SAINT and XPREP (Bruker 1995)'
_computing_molecular_graphics
;
teXsan for Windows (MSC, 1997)
xtal 3.6 (Hall,du Boulay, D.J. & Olthof-Hazekamp, R. 1999)
ORTEPII  (Johnson,C.K., 1976).
WinGX (Farrugia, 1999)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_crystal_treatment
;
attached with Exxon Paratone N, to a short length
of fibre supported on a thin piece of copper wire
inserted in a copper mounting pin.  The crystal was
quenched in a cold nitrogen gas stream from an
Oxford Cryosystems Cryostream.
;
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9792
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        0.07
_diffrn_standards_number         94
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.953
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
Gaussian (Coppens et al., 1965)
XPREP  (Bruker, 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.509
_exptl_crystal_size_mid          0.238
_exptl_crystal_size_min          0.051
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.040
_refine_ls_abs_structure_details 'not reliably determined'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         2503
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.05P)²+0.0P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                2255
_reflns_number_total             2503
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303362g.txt
_cod_data_source_block           mss26
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7103728
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.4170(2) 0.50448(13) 0.57045(8) 0.0230(3) Uani 1 1 d . . .
O2 O 0.5539(3) 0.62075(13) 0.46812(9) 0.0276(3) Uani 1 1 d . . .
O3 O 0.3236(2) 0.39003(15) 0.72739(8) 0.0281(3) Uani 1 1 d . . .
O4 O -0.0375(3) 0.32906(18) 0.77944(10) 0.0393(4) Uani 1 1 d . . .
O5 O 0.0146(3) 0.17671(16) 0.02535(9) 0.0378(4) Uani 1 1 d . . .
O6 O -0.1840(3) 0.33858(18) 0.06675(10) 0.0415(4) Uani 1 1 d . . .
C1 C 0.2268(3) 0.41591(18) 0.58241(12) 0.0202(4) Uani 1 1 d . . .
H1 H 0.2901 0.3337 0.5724 0.024 Uiso 1 1 calc R . .
C2 C 0.4065(3) 0.54997(18) 0.49121(13) 0.0212(4) Uani 1 1 d . . .
C3 C 0.1936(3) 0.49717(17) 0.44838(12) 0.0203(4) Uani 1 1 d . . .
C4 C 0.0370(3) 0.44835(18) 0.51607(12) 0.0209(4) Uani 1 1 d . . .
H4 H -0.0613 0.5157 0.5382 0.025 Uiso 1 1 calc R . .
C5 C -0.1324(3) 0.35384(19) 0.48529(12) 0.0240(4) Uani 1 1 d . . .
H5 H -0.2085 0.3029 0.5242 0.029 Uiso 1 1 calc R . .
C6 C -0.1779(3) 0.3401(2) 0.40470(13) 0.0242(4) Uani 1 1 d . . .
H6 H -0.2968 0.2834 0.3888 0.029 Uiso 1 1 calc R . .
C7 C -0.0541(3) 0.40826(19) 0.33629(11) 0.0214(4) Uani 1 1 d . . .
H7 H -0.1745 0.4654 0.3124 0.026 Uiso 1 1 calc R . .
C8 C 0.1578(3) 0.48143(17) 0.36690(12) 0.0203(4) Uani 1 1 d . . .
C9 C 0.3101(4) 0.53676(18) 0.29986(12) 0.0226(4) Uani 1 1 d . . .
H9A H 0.4604 0.5676 0.3254 0.027 Uiso 1 1 calc R . .
H9B H 0.2224 0.6053 0.2752 0.027 Uiso 1 1 calc R . .
C10 C 0.3737(3) 0.44889(18) 0.23062(12) 0.0216(4) Uani 1 1 d . . .
H10A H 0.4563 0.4921 0.1855 0.026 Uiso 1 1 calc R . .
H10B H 0.4854 0.3876 0.2529 0.026 Uiso 1 1 calc R . .
C11 C 0.1486(3) 0.38799(18) 0.19545(11) 0.0213(4) Uani 1 1 d . . .
H11 H 0.0389 0.4508 0.1724 0.026 Uiso 1 1 calc R . .
C12 C 0.0172(3) 0.32156(18) 0.26533(12) 0.0209(4) Uani 1 1 d . . .
H12 H -0.1345 0.2881 0.2409 0.025 Uiso 1 1 calc R . .
C13 C 0.1677(4) 0.21784(18) 0.29570(13) 0.0252(4) Uani 1 1 d . . .
H13 H 0.1585 0.1944 0.3524 0.030 Uiso 1 1 calc R . .
C14 C 0.3122(4) 0.15874(19) 0.24537(13) 0.0277(4) Uani 1 1 d . . .
H14 H 0.3970 0.0920 0.2674 0.033 Uiso 1 1 calc R . .
C15 C 0.3507(4) 0.1904(2) 0.15567(13) 0.0301(5) Uani 1 1 d . . .
H15A H 0.3028 0.1214 0.1208 0.036 Uiso 1 1 calc R . .
H15B H 0.5245 0.2041 0.1473 0.036 Uiso 1 1 calc R . .
C16 C 0.2120(3) 0.30128(19) 0.12493(12) 0.0229(4) Uani 1 1 d . . .
H16 H 0.3251 0.3456 0.0882 0.028 Uiso 1 1 calc R . .
C17 C 0.1390(3) 0.42716(19) 0.67050(12) 0.0230(4) Uani 1 1 d . . .
H17 H 0.0912 0.5115 0.6822 0.028 Uiso 1 1 calc R . .
C18 C -0.0646(4) 0.3427(2) 0.69165(13) 0.0290(5) Uani 1 1 d . . .
H18A H -0.2227 0.3778 0.6769 0.035 Uiso 1 1 calc R . .
H18B H -0.0471 0.2653 0.6626 0.035 Uiso 1 1 calc R . .
C19 C 0.2104(3) 0.3448(2) 0.80088(12) 0.0251(4) Uani 1 1 d . . .
C20 C 0.3233(5) 0.2263(3) 0.82044(18) 0.0473(7) Uani 1 1 d . . .
H20A H 0.2629 0.1969 0.8737 0.071 Uiso 1 1 calc R . .
H20B H 0.4982 0.2354 0.8241 0.071 Uiso 1 1 calc R . .
H20C H 0.2825 0.1692 0.7763 0.071 Uiso 1 1 calc R . .
C21 C 0.2257(6) 0.4337(3) 0.86996(17) 0.0538(8) Uani 1 1 d . . .
H21A H 0.1596 0.5102 0.8510 0.081 Uiso 1 1 calc R . .
H21B H 0.3941 0.4444 0.8868 0.081 Uiso 1 1 calc R . .
H21C H 0.1334 0.4048 0.9174 0.081 Uiso 1 1 calc R . .
C22 C -0.0102(4) 0.2754(2) 0.07139(12) 0.0270(5) Uani 1 1 d . . .
C23 C -0.1815(5) 0.1515(3) -0.03241(15) 0.0493(7) Uani 1 1 d . . .
H23A H -0.3336 0.1506 -0.0023 0.074 Uiso 1 1 calc R . .
H23B H -0.1557 0.0735 -0.0584 0.074 Uiso 1 1 calc R . .
H23C H -0.1876 0.2134 -0.0755 0.074 Uiso 1 1 calc R . .
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'
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
C2 O1 C1 110.51(14) . . ?
C17 O3 C19 108.03(14) . . ?
C18 O4 C19 108.41(15) . . ?
C22 O5 C23 115.6(2) . . ?
O1 C1 C17 108.00(15) . . ?
O1 C1 C4 103.93(15) . . ?
C17 C1 C4 113.83(15) . . ?
O1 C1 H1 110.3 . . ?
C17 C1 H1 110.3 . . ?
C4 C1 H1 110.3 . . ?
O2 C2 O1 120.65(19) . . ?
O2 C2 C3 131.5(2) . . ?
O1 C2 C3 107.87(16) . . ?
C8 C3 C2 128.03(17) . . ?
C8 C3 C4 125.51(17) . . ?
C2 C3 C4 105.98(16) . . ?
C5 C4 C3 112.68(16) . . ?
C5 C4 C1 119.15(17) . . ?
C3 C4 C1 100.86(15) . . ?
C5 C4 H4 107.8 . . ?
C3 C4 H4 107.8 . . ?
C1 C4 H4 107.8 . . ?
C6 C5 C4 121.14(18) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C7 124.65(18) . . ?
C5 C6 H6 117.7 . . ?
C7 C6 H6 117.7 . . ?
C6 C7 C8 113.40(16) . . ?
C6 C7 C12 109.93(17) . . ?
C8 C7 C12 111.85(15) . . ?
C6 C7 H7 107.1 . . ?
C8 C7 H7 107.1 . . ?
C12 C7 H7 107.1 . . ?
C3 C8 C9 124.56(17) . . ?
C3 C8 C7 119.81(16) . . ?
C9 C8 C7 115.57(16) . . ?
C8 C9 C10 113.02(16) . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 111.12(16) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C16 111.13(15) . . ?
C10 C11 C12 109.89(16) . . ?
C16 C11 C12 110.34(17) . . ?
C10 C11 H11 108.5 . . ?
C16 C11 H11 108.5 . . ?
C12 C11 H11 108.5 . . ?
C13 C12 C11 109.97(16) . . ?
C13 C12 C7 112.92(17) . . ?
C11 C12 C7 111.17(16) . . ?
C13 C12 H12 107.5 . . ?
C11 C12 H12 107.5 . . ?
C7 C12 H12 107.5 . . ?
C14 C13 C12 121.7(2) . . ?
C14 C13 H13 119.1 . . ?
C12 C13 H13 119.1 . . ?
C13 C14 C15 124.22(19) . . ?
C13 C14 H14 117.9 . . ?
C15 C14 H14 117.9 . . ?
C14 C15 C16 114.94(17) . . ?
C14 C15 H15A 108.5 . . ?
C16 C15 H15A 108.5 . . ?
C14 C15 H15B 108.5 . . ?
C16 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C22 C16 C11 110.15(16) . . ?
C22 C16 C15 115.29(18) . . ?
C11 C16 C15 113.05(17) . . ?
C22 C16 H16 105.8 . . ?
C11 C16 H16 105.8 . . ?
C15 C16 H16 105.8 . . ?
O3 C17 C1 109.74(15) . . ?
O3 C17 C18 102.01(16) . . ?
C1 C17 C18 114.15(17) . . ?
O3 C17 H17 110.2 . . ?
C1 C17 H17 110.2 . . ?
C18 C17 H17 110.2 . . ?
O4 C18 C17 102.60(17) . . ?
O4 C18 H18A 111.2 . . ?
C17 C18 H18A 111.2 . . ?
O4 C18 H18B 111.2 . . ?
C17 C18 H18B 111.2 . . ?
H18A C18 H18B 109.2 . . ?
O4 C19 O3 106.06(16) . . ?
O4 C19 C21 108.0(2) . . ?
O3 C19 C21 110.78(19) . . ?
O4 C19 C20 110.0(2) . . ?
O3 C19 C20 107.29(18) . . ?
C21 C19 C20 114.5(2) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O6 C22 O5 122.77(19) . . ?
O6 C22 C16 124.7(2) . . ?
O5 C22 C16 112.37(18) . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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 C2 1.373(3) . ?
O1 C1 1.465(2) . ?
O2 C2 1.203(2) . ?
O3 C17 1.429(2) . ?
O3 C19 1.438(2) . ?
O4 C18 1.426(3) . ?
O4 C19 1.429(2) . ?
O5 C22 1.338(3) . ?
O5 C23 1.452(3) . ?
O6 C22 1.200(3) . ?
C1 C17 1.509(3) . ?
C1 C4 1.536(3) . ?
C1 H1 1.0000 . ?
C2 C3 1.486(3) . ?
C3 C8 1.334(3) . ?
C3 C4 1.505(3) . ?
C4 C5 1.498(3) . ?
C4 H4 1.0000 . ?
C5 C6 1.326(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.512(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.514(3) . ?
C7 C12 1.553(3) . ?
C7 H7 1.0000 . ?
C8 C9 1.512(3) . ?
C9 C10 1.531(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.529(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C16 1.537(3) . ?
C11 C12 1.540(3) . ?
C11 H11 1.0000 . ?
C12 C13 1.510(3) . ?
C12 H12 1.0000 . ?
C13 C14 1.325(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.503(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.541(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C22 1.526(3) . ?
C16 H16 1.0000 . ?
C17 C18 1.518(3) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C21 1.493(3) . ?
C19 C20 1.501(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
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 O1 C1 C17 -144.05(16) . . . . ?
C2 O1 C1 C4 -22.83(19) . . . . ?
C1 O1 C2 O2 -177.06(17) . . . . ?
C1 O1 C2 C3 3.6(2) . . . . ?
O2 C2 C3 C8 26.2(3) . . . . ?
O1 C2 C3 C8 -154.6(2) . . . . ?
O2 C2 C3 C4 -161.6(2) . . . . ?
O1 C2 C3 C4 17.7(2) . . . . ?
C8 C3 C4 C5 14.3(3) . . . . ?
C2 C3 C4 C5 -158.18(16) . . . . ?
C8 C3 C4 C1 142.50(19) . . . . ?
C2 C3 C4 C1 -30.02(19) . . . . ?
O1 C1 C4 C5 155.43(16) . . . . ?
C17 C1 C4 C5 -87.3(2) . . . . ?
O1 C1 C4 C3 31.62(18) . . . . ?
C17 C1 C4 C3 148.85(17) . . . . ?
C3 C4 C5 C6 -16.3(3) . . . . ?
C1 C4 C5 C6 -134.2(2) . . . . ?
C4 C5 C6 C7 5.2(3) . . . . ?
C5 C6 C7 C8 9.1(3) . . . . ?
C5 C6 C7 C12 135.2(2) . . . . ?
C2 C3 C8 C9 -12.5(3) . . . . ?
C4 C3 C8 C9 176.61(18) . . . . ?
C2 C3 C8 C7 170.33(18) . . . . ?
C4 C3 C8 C7 -0.5(3) . . . . ?
C6 C7 C8 C3 -11.3(3) . . . . ?
C12 C7 C8 C3 -136.28(18) . . . . ?
C6 C7 C8 C9 171.35(16) . . . . ?
C12 C7 C8 C9 46.3(2) . . . . ?
C3 C8 C9 C10 135.9(2) . . . . ?
C7 C8 C9 C10 -46.9(2) . . . . ?
C8 C9 C10 C11 52.4(2) . . . . ?
C9 C10 C11 C16 179.06(16) . . . . ?
C9 C10 C11 C12 -58.5(2) . . . . ?
C10 C11 C12 C13 -67.3(2) . . . . ?
C16 C11 C12 C13 55.6(2) . . . . ?
C10 C11 C12 C7 58.5(2) . . . . ?
C16 C11 C12 C7 -178.59(15) . . . . ?
C6 C7 C12 C13 -54.6(2) . . . . ?
C8 C7 C12 C13 72.3(2) . . . . ?
C6 C7 C12 C11 -178.80(15) . . . . ?
C8 C7 C12 C11 -51.9(2) . . . . ?
C11 C12 C13 C14 -31.7(3) . . . . ?
C7 C12 C13 C14 -156.49(19) . . . . ?
C12 C13 C14 C15 2.8(3) . . . . ?
C13 C14 C15 C16 1.4(3) . . . . ?
C10 C11 C16 C22 -160.24(16) . . . . ?
C12 C11 C16 C22 77.6(2) . . . . ?
C10 C11 C16 C15 69.2(2) . . . . ?
C12 C11 C16 C15 -53.0(2) . . . . ?
C14 C15 C16 C22 -103.6(2) . . . . ?
C14 C15 C16 C11 24.4(2) . . . . ?
C19 O3 C17 C1 -151.61(17) . . . . ?
C19 O3 C17 C18 -30.2(2) . . . . ?
O1 C1 C17 O3 -67.8(2) . . . . ?
C4 C1 C17 O3 177.35(16) . . . . ?
O1 C1 C17 C18 178.42(16) . . . . ?
C4 C1 C17 C18 63.6(2) . . . . ?
C19 O4 C18 C17 -28.6(2) . . . . ?
O3 C17 C18 O4 35.5(2) . . . . ?
C1 C17 C18 O4 153.83(17) . . . . ?
C18 O4 C19 O3 10.5(2) . . . . ?
C18 O4 C19 C21 129.3(2) . . . . ?
C18 O4 C19 C20 -105.2(2) . . . . ?
C17 O3 C19 O4 13.5(2) . . . . ?
C17 O3 C19 C21 -103.4(2) . . . . ?
C17 O3 C19 C20 131.0(2) . . . . ?
C23 O5 C22 O6 1.1(3) . . . . ?
C23 O5 C22 C16 -175.13(18) . . . . ?
C11 C16 C22 O6 22.0(3) . . . . ?
C15 C16 C22 O6 151.4(2) . . . . ?
C11 C16 C22 O5 -161.82(16) . . . . ?
C15 C16 C22 O5 -32.4(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30653085
2 PubChem 101253819
