2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione
Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel; Acta Crystallographica Section C 53 (1997) 1459–1462; doi:10.1107/S0108270197006495

data_2006545
_publ_section_title
;
 2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and
 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1459
_journal_page_last               1462
_journal_paper_doi               10.1107/S0108270197006495
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C5 H8 N4 O2'
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_atom_type_scat_source           IntTabIV
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_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90.000(10)
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_cell_length_b                   10.171(2)
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_cell_measurement_theta_min      15
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_computing_cell_refinement       'CAD4 Software'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
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_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
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_computing_structure_refinement  'LSFM SDP (Frenz, 1985)'
_computing_structure_solution    'direct methods (MULTAN80; Main et al., 1980)'
_diffrn_ambient_temperature      294
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0016Fo^4^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ab1467.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/[\s^2^(Fo^2^) +
0.0016Fo^4^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0016Fo^4^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1363.0(10)
_cod_database_code               2006545
_cod_database_fobs_code          2006545