The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors
Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little; Acta Crystallographica Section C 55 (1999) 1870–1873; doi:10.1107/S0108270199008008

data_2009083
_publ_section_title
;
 The 17-spiro lactide of cortienic acid: a probe for studying the
 active sites of steroidal receptors
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1870
_journal_page_last               1873
_journal_paper_doi               10.1107/S0108270199008008
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C23 H30 O6 '
_chemical_formula_sum            'C23 H30 O6'
_chemical_formula_weight         402.49
_chemical_name_systematic
;
(6'R)--6'--Methyl--2',5'--dioxo--(17R)spiro[11\b--hydroxy-androst--4--en--
3--one--17,3'--[1,4]--dioxane]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'SHELXL97 (Sheldrick, 1997)'
_audit_creation_method           PARSTCIF
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   25.869(8)
_cell_length_b                   12.494(4)
_cell_length_c                   6.198(2)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2003.2(11)
_diffrn_measurement_device_type  'Nicolet P3/F'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0589
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            3775
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.327
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         2066
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0480
_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/[\s^2^(Fo^2^)+(0.0759P)^2^+0.3744P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1542
_reflns_number_gt                1640
_reflns_number_total             2066
_reflns_threshold_expression     Fsqd>2\s(Fsqd)
_cod_data_source_file            bk1456.cif
_cod_data_source_block           Roy
_cod_original_cell_volume        2003.0(10)
_cod_original_sg_symbol_H-M      'P2~1~ 2~1~ 2~1~'
_cod_original_formula_sum        'C23 H30 O6 '
_cod_database_code               2009083