data_3000141
loop_
_publ_author_name
'Roszak Kinga'
'Katrusiak, Andrzej'
_publ_section_title
;
 ?
;
_journal_name_full               'To be published in PCCP'
_chemical_formula_sum            'C20 H14'
_chemical_name_common            1,1'-binaphthyl
_chemical_name_systematic
;
1,1'-binaphthyl
;
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.34(4)
_cell_angle_gamma                90.00
_cell_length_a                   20.575(10)
_cell_length_b                   6.0390(9)
_cell_length_c                   9.8506(15)
_cell_measurement_pressure       1290000
_cell_measurement_temperature    296(2)
_cell_volume                     1180.4(7)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0710
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.1841
_cod_database_code               3000141
_cod_hold_until_date             2018-03-30
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
