4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}
Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon; Acta Crystallographica Section C 53 (1997) 746–748; doi:10.1107/S0108270197001418

data_2006195
_publ_section_title
;
 4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              746
_journal_page_last               748
_journal_paper_doi               10.1107/S0108270197001418
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C19 H24 O5'
_chemical_formula_sum            'C19 H24 O5'
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_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_beta                 91.750(10)
_cell_angle_gamma                90
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_cell_length_c                   19.223(3)
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_cell_measurement_temperature    295
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      10.3
_cell_volume                     1773.5(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1992)'
_computing_publication_material  TEXSAN
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_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
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_diffrn_reflns_theta_min         2.5
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_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
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_exptl_crystal_density_method    none
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_refine_ls_extinction_coef       9E-7(2)
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_refine_ls_number_restraints     0
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0617
_refine_ls_wR_factor_obs         .0539
_reflns_number_observed          2112
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_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            bs1017.cif
_cod_data_source_block           mckendry4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 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_cell_volume        1773.4(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006195