1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl
Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.; Acta Crystallographica Section C 52 (1996) 397–400; doi:10.1107/S0108270195011929

data_2004464
_publ_section_title
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 1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              397
_journal_page_last               400
_journal_paper_doi               10.1107/S0108270195011929
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C20 H22'
_chemical_formula_weight         262.4
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.20(1)
_cell_length_b                   7.627(7)
_cell_length_c                   17.56(1)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    298
_cell_measurement_theta_max      19.2
_cell_measurement_theta_min      5.0
_cell_volume                     1500(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1182
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        +-1.5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.11
_refine_diff_density_min         -0.10
_refine_ls_extinction_coef       '\c = 0.0021(3)'
_refine_ls_extinction_method     'F^*^ = F[1 + 0.002\cF^2^/sin(2\q)]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.37
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     92
_refine_ls_number_reflns         818
_refine_ls_R_factor_obs          0.0354
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0437
_reflns_number_observed          818
_reflns_number_total             1182
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            as1191.cif
_cod_data_source_block           2
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 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 
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_cod_database_code               2004464