Structures of 1,1'-diphenyl-1,1'-bicyclopentyl, 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl
Zhang, D.; Xu, Y.; Koh, L. L.; Lam, Y. L.; Huang, H. H.; Acta Crystallographica Section C 49 (1993) 1002–1007; doi:10.1107/S0108270192011314

data_2001731
_publ_section_title
;
 Structures of 1,1'-diphenyl-1,1'-bicyclopentyl,
 1,1'-diphenyl-1,1'-bicyclohexyl and 1,1'-diphenyl-1,1'-bicycloheptyl
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_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1002
_journal_page_last               1007
_journal_paper_doi               10.1107/S0108270192011314
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H30'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.29(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.306(9)
_cell_length_b                   6.499(3)
_cell_length_c                   16.596(11)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    298
_cell_measurement_theta_max      9.925
_cell_measurement_theta_min      3.48
_cell_volume                     1823.8(18)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         25.0
_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
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_exptl_crystal_description       plate
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_refine_diff_density_min         -0.10
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_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     110
_refine_ls_number_reflns         656
_refine_ls_R_factor_obs          0.0368
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0023F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0438
_reflns_number_observed          656
_reflns_number_total             1609
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ab1030.cif
_cod_data_source_block           ab1030_structure_2_of_3
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0023F^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)+0.0023F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1824(2)
_cod_database_code               2001731