data_3000280
loop_
_publ_author_name
'Rakovský, Erik'
'Hrobárik, Peter'
'Osuský, Patrik'
_journal_name_full               'To be published'
_diffrn_ambient_temperature      293.15
_cell_measurement_temperature    293
_chemical_name_systematic
4,7-bis[4-(N,N-diphenylamino)phenylethynyl]benzothiazole
_chemical_formula_sum            'C48 H32 Cl3 N3 S'
_cell_length_a                   10.5498(8)
_cell_length_b                   14.4285(11)
_cell_length_c                   15.594(2)
_cell_angle_alpha                114.536(7)
_cell_angle_beta                 99.447(8)
_cell_angle_gamma                101.858(6)
_cell_volume                     2028.6(4)
_diffrn_radiation_wavelength     1.54186
_diffrn_radiation_type           CuK\a
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0455
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1384
_refine_ls_goodness_of_fit_ref   0.893
_cod_hold_until_date             2021-10-09
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
