<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane
Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.; Acta Crystallographica Section C 51 (1995) 904–908; doi:10.1107/S0108270194009959

data_2003428
_publ_section_title
;
 <i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              904
_journal_page_last               908
_journal_paper_doi               10.1107/S0108270194009959
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Prof. Harry Wasserman of Yale University'
_chemical_formula_sum            'C24 H20'
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_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                90.00
_cell_angle_beta                 91.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.589(3)
_cell_length_b                   13.384(3)
_cell_length_c                   8.158(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      18
_cell_measurement_theta_min      9
_cell_volume                     1592.3(8)
_computing_cell_refinement       'CAD4 software'
_computing_data_collection       'CAD4 software (Enraf-Nonius, 1988)'
_computing_data_reduction        'PROCESS MolEN (Fair, 1990)'
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_computing_publication_material  'BTABLE PTABLE CIF IN MolEN'
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'direct methods in SHELXS86 (Sheldrick, 1985)'
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_diffrn_measurement_method       \w/2\q
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_diffrn_standards_interval_time  120
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_exptl_absorpt_coefficient_mu    0.067
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;
?
;
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_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/[\s^2^(Fo^2^) + 0.0016
Fo^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^) + 0.0016 Fo^4^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1592.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
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