data_3000441
loop_
_publ_author_name
'Gogoi, Diptajyoti'
'Sasaki, Toshiyuki'
'Nakane, Takanori'
'Kawamoto, Akihiro'
'Hojo, Hironobu'
'Kurisu, Genji'
'Thakuria, Ranjit'
_journal_name_full               'To be published'
_chemical_formula_sum            'C12 H10 N2 O S'
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.815
_cell_length_b                   12.611
_cell_length_c                   16.549
_cell_measurement_temperature    79
_cell_volume                     2257.084
_diffrn_ambient_temperature      79
_diffrn_radiation_type           electrons
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_R_factor_all          0.1727
_refine_ls_R_factor_gt           0.1377
_refine_ls_wR_factor_gt          0.3347
_refine_ls_wR_factor_ref         0.3488
_cod_database_code               3000441
_cod_hold_until_date             2023-10-15
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?