Structure of a Diels–Alder adduct at a 5,7-disubstituted thebaine derivative
Woudenberg, R. H.; Koningsveld, H. V.; Maat, L.; Acta Crystallographica Section C 50 (1994) 913–915; doi:10.1107/S0108270193010777

data_2009754
_publ_section_title
;
 Structure of a Diels--Alder adduct at a 5,7-disubstituted thebaine
 derivative
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              913
_journal_page_last               915
_journal_paper_doi               10.1107/S0108270193010777
_journal_volume                  50
_journal_year                    1994
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_atom_type_scat_source
;Xtal3.2 (Hall, Flack & Stewart, 1992) and International Tables for X-ray
Crystallography (1974, Vol. IV, p. 149)
;
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_cell_angle_gamma                90
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_cell_length_c                   32.344(7)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      13.05
_cell_measurement_theta_min      9.25
_cell_volume                     2225.0(9)
_diffrn_measurement_device       'ENRAF-NONIUS CAD-4'
_diffrn_measurement_method       '\w/2\q scan mode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_min       0
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_diffrn_standards_decay_%        <2.0
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_refine_diff_density_min         '|\D\s| = 0.40'
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         2205
_refine_ls_R_factor_obs          5.6
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
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_reflns_number_observed          2205
_reflns_number_total             3698
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            al1065.cif
_cod_data_source_block           al1065_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C25 H31 N1 O5'
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