Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane
Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan; Acta Crystallographica Section C 53 (1997) 1145–1148; doi:10.1107/S0108270197003740

data_2006425
_publ_section_title
;
 Octamethylcuneane and Octamethylcubane: the First X-ray Crystal
 Structure of a Cuneane
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1145
_journal_page_last               1148
_journal_paper_doi               10.1107/S0108270197003740
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C16 H24'
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_space_group_name_Hall           '-P 1'
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_atom_type_scat_source           IntTabIV
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_computing_cell_refinement       'CAD4 Manual'
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_computing_molecular_graphics
'ORTEPII (Johnson, 1976), SCHAKAL92 (Keller, 1992)'
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_computing_structure_solution
'direct methods (MULTAN11/82; Main et al., 1982)'
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_refine_ls_abs_structure_details
;
?
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0009Fo^4^]'
_refine_ls_weighting_scheme      calc
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_reflns_observed_criterion       >2.5\s(I)
_cod_data_source_file            sk1013.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/[\s^2^(Fo^2^) +
0.0009Fo^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^) + 0.0009Fo^4^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1377.4(6)
_cod_database_code               2006425