Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). IV. An α-Epoxy Steroid
Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Reddy, M. M.; Singh, A. K.; Acta Crystallographica Section C 51 (1995) 2102–2105; doi:10.1107/S0108270195004409

data_2003962
_publ_section_title
;
 Structural Studies of Intermediates in the Synthesis of Mifepristone
 (RU 486). IV. An \a-Epoxy Steroid
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2102
_journal_page_last               2105
_journal_paper_doi               10.1107/S0108270195004409
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C23 H30 O4'
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_cell_angle_alpha                90
_cell_angle_beta                 99.8(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.203(2)
_cell_length_b                   12.368(2)
_cell_length_c                   14.849(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     2027.4(14)
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_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1990)'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  'PARST (Nardelli, 1983)'
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_computing_structure_solution    SHELXTL-Plus
_diffrn_measurement_device       'Siemens R3m/v'
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_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0038F^2^]'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.0038F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0038F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2027.2(6)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2003962