#------------------------------------------------------------------------------
#$Date: 2017-09-18 10:21:18 +0200 (lun 18 de sep de 2017) $
#$Revision: 200969 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/72/1547204.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_1547204
loop_
_publ_author_name
'Naik Tameen Khan'
'Marium Bibi'
'Sammer Yousuf'
'Izhar Husain Qureshi'
Atta-ur-Rahman
'Abdullah Mohammad Al-Majid'
'Muhammad Ahmed Mesaik'
'Ahmed Shukralla Khalid'
'Samina A Sattar'
Atia-tul-Wahab
'M Iqbal Choudhary'
_publ_section_title
;
 Synthesis of some potent immunomodulatory and anti-inflammatory
 metabolites by fungal transformation of anabolic steroid oxymetholone
;
_journal_name_full               'Chemistry Central Journal'
_journal_page_first              153
_journal_paper_doi               10.1186/1752-153X-6-153
_journal_volume                  6
_journal_year                    2012
_chemical_formula_moiety         'C20 H34 O3, OH'
_chemical_formula_sum            'C20 H35 O4'
_chemical_formula_weight         339.48
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.270(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.5169(19)
_cell_length_b                   6.7843(12)
_cell_length_c                   12.820(2)
_cell_measurement_reflns_used    1160
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.80
_cell_measurement_theta_min      1.68
_cell_volume                     945.6(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material
;
SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.828
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measurement_device_type
;
Bruker SMART APEX CCD area-detector diffractometer
;
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4363
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.9912
_exptl_absorpt_correction_T_min  0.9785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Colorles
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             374
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.147
_refine_diff_density_min         -0.141
_refine_diff_density_rms         0.029
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.873
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         1585
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.872
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0452
_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)+(0.0273P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                995
_reflns_number_total             1585
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            13065_2012_549_MOESM9_ESM.cif
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               1547204
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 0.0950(3) 0.5455(5) 0.5631(2) 0.0591(9) Uani 1 1 d . . .
H1C H 0.0237 0.5832 0.5483 0.089 Uiso 1 1 calc R . .
O2 O 0.1514(3) 0.1704(5) 0.4867(2) 0.0560(9) Uani 1 1 d . . .
H2A H 0.1845 0.2307 0.4487 0.084 Uiso 1 1 calc R . .
O3 O 0.2784(3) 0.3967(5) 1.3853(3) 0.0653(10) Uani 1 1 d . . .
H3B H 0.2503 0.2945 1.4014 0.098 Uiso 1 1 calc R . .
O100 O 0.7742(4) 0.2602(7) 0.5489(4) 0.0858(15) Uani 1 1 d . . .
H100 H 0.791(5) 0.199(9) 0.517(5) 0.07(2) Uiso 1 1 d . . .
C1 C 0.1597(4) 0.4226(6) 0.7521(3) 0.0399(10) Uani 1 1 d . . .
H1A H 0.2347 0.4989 0.7677 0.048 Uiso 1 1 calc R . .
H1B H 0.0992 0.5054 0.7684 0.048 Uiso 1 1 calc R . .
C2 C 0.1129(4) 0.3719(6) 0.6288(3) 0.0423(11) Uani 1 1 d . . .
H2B H 0.0336 0.3043 0.6121 0.051 Uiso 1 1 calc R . .
C3 C 0.2011(4) 0.2365(6) 0.5998(3) 0.0413(11) Uani 1 1 d . . .
H3A H 0.2781 0.3075 0.6097 0.050 Uiso 1 1 calc R . .
C4 C 0.2284(4) 0.0549(7) 0.6734(3) 0.0432(11) Uani 1 1 d . . .
H4A H 0.2893 -0.0257 0.6562 0.052 Uiso 1 1 calc R . .
H4B H 0.1541 -0.0227 0.6590 0.052 Uiso 1 1 calc R . .
C5 C 0.2768(3) 0.1131(6) 0.7963(3) 0.0376(10) Uani 1 1 d . . .
H5A H 0.3504 0.1935 0.8062 0.045 Uiso 1 1 calc R . .
C6 C 0.3188(4) -0.0672(6) 0.8714(3) 0.0459(11) Uani 1 1 d . . .
H6A H 0.2486 -0.1507 0.8656 0.055 Uiso 1 1 calc R . .
H6B H 0.3771 -0.1431 0.8479 0.055 Uiso 1 1 calc R . .
C7 C 0.3780(4) -0.0037(7) 0.9893(3) 0.0455(11) Uani 1 1 d . . .
H7A H 0.4529 0.0684 0.9961 0.055 Uiso 1 1 calc R . .
H7B H 0.4002 -0.1194 1.0361 0.055 Uiso 1 1 calc R . .
C8 C 0.2925(3) 0.1264(6) 1.0287(3) 0.0358(10) Uani 1 1 d . . .
H8A H 0.2207 0.0472 1.0267 0.043 Uiso 1 1 calc R . .
C9 C 0.2466(3) 0.3041(6) 0.9520(3) 0.0340(10) Uani 1 1 d . . .
H9A H 0.3207 0.3777 0.9545 0.041 Uiso 1 1 calc R . .
C10 C 0.1856(3) 0.2441(6) 0.8295(3) 0.0342(10) Uani 1 1 d . . .
C11 C 0.1696(3) 0.4474(7) 0.9961(3) 0.0431(11) Uani 1 1 d . . .
H11A H 0.1553 0.5670 0.9522 0.052 Uiso 1 1 calc R . .
H11B H 0.0902 0.3877 0.9864 0.052 Uiso 1 1 calc R . .
C12 C 0.2298(4) 0.5023(6) 1.1181(3) 0.0394(10) Uani 1 1 d . . .
H12A H 0.3020 0.5823 1.1263 0.047 Uiso 1 1 calc R . .
H12B H 0.1726 0.5804 1.1420 0.047 Uiso 1 1 calc R . .
C13 C 0.2669(3) 0.3210(6) 1.1912(3) 0.0360(10) Uani 1 1 d . . .
C14 C 0.3534(4) 0.1982(6) 1.1474(3) 0.0372(10) Uani 1 1 d . . .
H14A H 0.4211 0.2853 1.1468 0.045 Uiso 1 1 calc R . .
C15 C 0.4075(5) 0.0462(8) 1.2387(3) 0.0570(12) Uani 1 1 d . . .
H15A H 0.4894 0.0075 1.2410 0.068 Uiso 1 1 calc R . .
H15B H 0.3559 -0.0703 1.2264 0.068 Uiso 1 1 calc R . .
C16 C 0.4119(4) 0.1484(7) 1.3463(4) 0.0589(13) Uani 1 1 d . . .
H16A H 0.4964 0.1661 1.3938 0.071 Uiso 1 1 calc R . .
H16B H 0.3690 0.0706 1.3855 0.071 Uiso 1 1 calc R . .
C17 C 0.3479(4) 0.3520(7) 1.3126(4) 0.0460(12) Uani 1 1 d . . .
C18 C 0.1517(4) 0.2012(7) 1.1891(4) 0.0529(13) Uani 1 1 d . . .
H18A H 0.1005 0.1804 1.1139 0.079 Uiso 1 1 calc R . .
H18B H 0.1065 0.2727 1.2277 0.079 Uiso 1 1 calc R . .
H18C H 0.1767 0.0761 1.2244 0.079 Uiso 1 1 calc R . .
C19 C 0.0627(3) 0.1358(7) 0.8152(3) 0.0469(11) Uani 1 1 d . . .
H19A H 0.0250 0.0988 0.7391 0.070 Uiso 1 1 calc R . .
H19B H 0.0084 0.2217 0.8368 0.070 Uiso 1 1 calc R . .
H19C H 0.0785 0.0198 0.8606 0.070 Uiso 1 1 calc R . .
C20 C 0.4435(4) 0.5156(8) 1.3321(4) 0.0600(13) Uani 1 1 d . . .
H20A H 0.4887 0.5250 1.4097 0.090 Uiso 1 1 calc R . .
H20B H 0.4030 0.6386 1.3064 0.090 Uiso 1 1 calc R . .
H20C H 0.4991 0.4861 1.2925 0.090 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 0.0000 '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 0.0000 '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
C2 O1 H1C 109.5 . .
C3 O2 H2A 109.5 . .
C17 O3 H3B 109.5 . .
C10 C1 C2 114.7(3) . .
C10 C1 H1A 108.6 . .
C2 C1 H1A 108.6 . .
C10 C1 H1B 108.6 . .
C2 C1 H1B 108.6 . .
H1A C1 H1B 107.6 . .
O1 C2 C3 109.7(3) . .
O1 C2 C1 111.0(3) . .
C3 C2 C1 110.8(3) . .
O1 C2 H2B 108.4 . .
C3 C2 H2B 108.4 . .
C1 C2 H2B 108.4 . .
O2 C3 C2 111.2(3) . .
O2 C3 C4 107.7(3) . .
C2 C3 C4 111.1(3) . .
O2 C3 H3A 108.9 . .
C2 C3 H3A 108.9 . .
C4 C3 H3A 108.9 . .
C3 C4 C5 111.0(3) . .
C3 C4 H4A 109.4 . .
C5 C4 H4A 109.4 . .
C3 C4 H4B 109.4 . .
C5 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 111.8(4) . .
C6 C5 C10 112.9(3) . .
C4 C5 C10 112.5(3) . .
C6 C5 H5A 106.4 . .
C4 C5 H5A 106.4 . .
C10 C5 H5A 106.4 . .
C7 C6 C5 110.4(4) . .
C7 C6 H6A 109.6 . .
C5 C6 H6A 109.6 . .
C7 C6 H6B 109.6 . .
C5 C6 H6B 109.6 . .
H6A C6 H6B 108.1 . .
C6 C7 C8 111.8(3) . .
C6 C7 H7A 109.3 . .
C8 C7 H7A 109.3 . .
C6 C7 H7B 109.3 . .
C8 C7 H7B 109.3 . .
H7A C7 H7B 107.9 . .
C7 C8 C14 112.3(3) . .
C7 C8 C9 111.4(3) . .
C14 C8 C9 109.6(3) . .
C7 C8 H8A 107.8 . .
C14 C8 H8A 107.8 . .
C9 C8 H8A 107.8 . .
C8 C9 C11 112.2(3) . .
C8 C9 C10 112.9(3) . .
C11 C9 C10 114.4(3) . .
C8 C9 H9A 105.5 . .
C11 C9 H9A 105.5 . .
C10 C9 H9A 105.5 . .
C1 C10 C5 106.4(3) . .
C1 C10 C9 112.1(3) . .
C5 C10 C9 108.1(3) . .
C1 C10 C19 108.8(3) . .
C5 C10 C19 111.9(3) . .
C9 C10 C19 109.7(3) . .
C12 C11 C9 113.9(3) . .
C12 C11 H11A 108.8 . .
C9 C11 H11A 108.8 . .
C12 C11 H11B 108.8 . .
C9 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
C13 C12 C11 111.9(4) . .
C13 C12 H12A 109.2 . .
C11 C12 H12A 109.2 . .
C13 C12 H12B 109.2 . .
C11 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C12 C13 C14 107.3(3) . .
C12 C13 C17 117.7(4) . .
C14 C13 C17 101.2(3) . .
C12 C13 C18 110.4(3) . .
C14 C13 C18 111.3(3) . .
C17 C13 C18 108.6(3) . .
C15 C14 C8 119.0(4) . .
C15 C14 C13 103.6(3) . .
C8 C14 C13 113.3(3) . .
C15 C14 H14A 106.8 . .
C8 C14 H14A 106.8 . .
C13 C14 H14A 106.8 . .
C14 C15 C16 105.6(4) . .
C14 C15 H15A 110.6 . .
C16 C15 H15A 110.6 . .
C14 C15 H15B 110.6 . .
C16 C15 H15B 110.6 . .
H15A C15 H15B 108.8 . .
C15 C16 C17 106.3(4) . .
C15 C16 H16A 110.5 . .
C17 C16 H16A 110.5 . .
C15 C16 H16B 110.5 . .
C17 C16 H16B 110.5 . .
H16A C16 H16B 108.7 . .
O3 C17 C20 105.4(3) . .
O3 C17 C13 113.6(3) . .
C20 C17 C13 115.4(4) . .
O3 C17 C16 108.6(3) . .
C20 C17 C16 110.4(4) . .
C13 C17 C16 103.4(4) . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C10 C19 H19A 109.5 . .
C10 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C10 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C2 1.423(5) .
O1 H1C 0.8200 .
O2 C3 1.444(5) .
O2 H2A 0.8200 .
O3 C17 1.447(5) .
O3 H3B 0.8200 .
O100 H100 0.66(5) .
C1 C10 1.531(6) .
C1 C2 1.532(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.505(6) .
C2 H2B 0.9800 .
C3 C4 1.520(6) .
C3 H3A 0.9800 .
C4 C5 1.539(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.534(6) .
C5 C10 1.540(5) .
C5 H5A 0.9800 .
C6 C7 1.501(6) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.527(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C14 1.530(5) .
C8 C9 1.535(5) .
C8 H8A 0.9800 .
C9 C11 1.544(5) .
C9 C10 1.547(5) .
C9 H9A 0.9800 .
C10 C19 1.551(5) .
C11 C12 1.533(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.520(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.540(5) .
C13 C17 1.542(5) .
C13 C18 1.549(5) .
C14 C15 1.529(6) .
C14 H14A 0.9800 .
C15 C16 1.529(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.559(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C20 1.525(6) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
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
C10 C1 C2 O1 -178.1(3) . . . .
C10 C1 C2 C3 -56.0(4) . . . .
O1 C2 C3 O2 -63.5(4) . . . .
C1 C2 C3 O2 173.6(3) . . . .
O1 C2 C3 C4 176.5(3) . . . .
C1 C2 C3 C4 53.6(4) . . . .
O2 C3 C4 C5 -177.6(3) . . . .
C2 C3 C4 C5 -55.6(4) . . . .
C3 C4 C5 C6 -173.5(3) . . . .
C3 C4 C5 C10 58.3(4) . . . .
C4 C5 C6 C7 173.8(3) . . . .
C10 C5 C6 C7 -58.2(5) . . . .
C5 C6 C7 C8 56.0(5) . . . .
C6 C7 C8 C14 -178.0(4) . . . .
C6 C7 C8 C9 -54.6(5) . . . .
C7 C8 C9 C11 -174.8(3) . . . .
C14 C8 C9 C11 -49.9(4) . . . .
C7 C8 C9 C10 54.1(4) . . . .
C14 C8 C9 C10 179.0(3) . . . .
C2 C1 C10 C5 55.5(4) . . . .
C2 C1 C10 C9 173.4(3) . . . .
C2 C1 C10 C19 -65.2(4) . . . .
C6 C5 C10 C1 176.3(3) . . . .
C4 C5 C10 C1 -56.0(4) . . . .
C6 C5 C10 C9 55.8(4) . . . .
C4 C5 C10 C9 -176.5(3) . . . .
C6 C5 C10 C19 -65.0(5) . . . .
C4 C5 C10 C19 62.7(4) . . . .
C8 C9 C10 C1 -170.6(3) . . . .
C11 C9 C10 C1 59.5(4) . . . .
C8 C9 C10 C5 -53.7(4) . . . .
C11 C9 C10 C5 176.4(3) . . . .
C8 C9 C10 C19 68.4(4) . . . .
C11 C9 C10 C19 -61.5(4) . . . .
C8 C9 C11 C12 48.5(4) . . . .
C10 C9 C11 C12 178.8(3) . . . .
C9 C11 C12 C13 -52.7(4) . . . .
C11 C12 C13 C14 56.8(4) . . . .
C11 C12 C13 C17 169.9(3) . . . .
C11 C12 C13 C18 -64.7(4) . . . .
C7 C8 C14 C15 -55.0(5) . . . .
C9 C8 C14 C15 -179.4(3) . . . .
C7 C8 C14 C13 -177.0(3) . . . .
C9 C8 C14 C13 58.5(4) . . . .
C12 C13 C14 C15 168.1(4) . . . .
C17 C13 C14 C15 44.2(4) . . . .
C18 C13 C14 C15 -71.0(5) . . . .
C12 C13 C14 C8 -61.6(4) . . . .
C17 C13 C14 C8 174.5(3) . . . .
C18 C13 C14 C8 59.3(4) . . . .
C8 C14 C15 C16 -157.6(4) . . . .
C13 C14 C15 C16 -30.8(5) . . . .
C14 C15 C16 C17 5.4(5) . . . .
C12 C13 C17 O3 85.7(4) . . . .
C14 C13 C17 O3 -157.8(3) . . . .
C18 C13 C17 O3 -40.6(5) . . . .
C12 C13 C17 C20 -36.2(5) . . . .
C14 C13 C17 C20 80.3(4) . . . .
C18 C13 C17 C20 -162.5(3) . . . .
C12 C13 C17 C16 -156.8(3) . . . .
C14 C13 C17 C16 -40.3(4) . . . .
C18 C13 C17 C16 76.9(4) . . . .
C15 C16 C17 O3 142.9(4) . . . .
C15 C16 C17 C20 -102.0(4) . . . .
C15 C16 C17 C13 21.9(5) . . . .
