Structure of 2,3-diphenyl-2-norbornene: comparison with data for a <i>cis</i>-stilbene
Beddoes, R. L.; Gorman, A. A.; McNeeney, S. P.; Acta Crystallographica Section C 49 (1993) 1811–1813; doi:10.1107/S0108270193002914

data_2001344
_publ_section_title
;
 Structure of 2,3-diphenyl-2-norbornene: comparison with data for a
 <i>cis</i>-stilbene
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1811
_journal_page_last               1813
_journal_paper_doi               10.1107/S0108270193002914
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H18'
_chemical_formula_weight         246.35
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.1030(10)
_cell_length_b                   12.0400(10)
_cell_length_c                   18.997(2)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    294
_cell_measurement_theta_max      14.03
_cell_measurement_theta_min      12.25
_cell_volume                     1395.9(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2383
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        -9.2
_diffrn_standards_interval_time  240
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  1.04
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'Elongated tabular'
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.83
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     172
_refine_ls_number_reflns         952
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          952
_reflns_number_total             2383
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ha1041.cif
_cod_data_source_block           ha1041_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/\s^2^(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/\s^2^(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1395.9
_cod_database_code               2001344