Structures of two hexacyclic cage diketone monoacetals
Coxon, J. M.; Fong, S. T.; Steel, P. J.; Bott, S. G.; Marchand, A. P.; Zope, U. R.; Acta Crystallographica Section C 49 (1993) 1859–1862; doi:10.1107/S0108270193003865

data_2001317
_publ_section_title
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 Structures of two hexacyclic cage diketone monoacetals
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1859
_journal_page_last               1862
_journal_paper_doi               10.1107/S0108270193003865
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C17 H16 O3'
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_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
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_cell_angle_beta                 90.
_cell_angle_gamma                90.
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_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      20
_cell_measurement_theta_min      18
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_diffrn_measurement_device       'Enraf-Nonius CAD-4'
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_diffrn_standards_decay_%        <=1.4
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_exptl_absorpt_correction_T_min  0.88
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_exptl_crystal_description       Block
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_exptl_crystal_size_mid          0.3
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         959
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         .005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F~o~)+0.04(F~o~)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          959
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_cod_data_source_file            ab1054.cif
_cod_data_source_block           ab1054_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~)+0.04(F~o~)^2^]^-1^'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F~o~)+0.04(F~o~)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2551.2(7)
_cod_database_code               2001317