<small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.; Acta Crystallographica Section C 50 (1994) 1745–1747; doi:10.1107/S0108270193012545

data_2010198
_publ_section_title
;
 <small>D</small>-Secoestrone derivatives. III.
 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1745
_journal_page_last               1747
_journal_paper_doi               10.1107/S0108270193012545
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C19 H24 F N O'
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_cell_length_c                   7.545(3)
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_cell_measurement_temperature    293
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_cell_measurement_theta_min      6.4
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_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
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_exptl_crystal_colour            Colourless
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_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.585
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=0.7465/[\s^2^(F)+0.003592F^2^]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
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_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            ka1034.cif
_cod_data_source_block           ka1034_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=0.7465/[\s^2^(F)+0.003592F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=0.7465/[\s^2^(F)+0.003592F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1620.60(10)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010198