Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds
Lynch, V. M.; Baran, J. R.; Lagow, R. J.; Davis, Brian E.; Acta Crystallographica Section C 50 (1994) 1765–1768; doi:10.1107/S0108270194003513

data_2010161
_publ_section_title
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 Three polyhalogenated tricyclo[5.1.0.0^3,5^]octane compounds
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1765
_journal_page_last               1768
_journal_paper_doi               10.1107/S0108270194003513
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C12 H18 Br2'
_chemical_formula_sum            'C12 H18 Br2'
_chemical_formula_weight         322.08
_chemical_name_systematic
4,8-dibromo-1,3,5,7-tetramethyl-cis-transoid-cis-tricyclo[5.1.0.0^3,5^]octane
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   13.437(4)
_cell_length_c                   7.804(2)
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_cell_measurement_temperature    298
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_cell_measurement_theta_min      4.1
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'Siemens P3/V Data Collection Software, version 4.1'
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'Siemens P3/V Data Collection Software, version 4.1'
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_diffrn_ambient_temperature      298.0(10)
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_diffrn_radiation_source         'X-ray tube'
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_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0004F^2^]'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.0346
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_reflns_number_total             1431
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_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(F)+0.0004F^2^]' 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)+0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        618.2(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010161