data_3000451
loop_
_publ_author_name
'Sasaki, Toshiyuki'
'Nakane, Takanori'
'Kawamoto, Akihiro'
'Zhao, Yakai'
'Fujimoto, Yushi'
'Nishizawa, Tomohiro'
'Ito, Fuyuki'
'Ramamurty, Upadrasta'
'Thakuria, Ranjit'
'Kurisu, Genji'
_journal_name_full               'To be published'
_chemical_formula_sum            'C13 H10 N2 O3'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.73
_cell_angle_gamma                90
_cell_length_a                   12.450
_cell_length_b                   5.735
_cell_length_c                   15.344
_cell_measurement_temperature    79
_cell_volume                     1085.618
_diffrn_ambient_temperature      79
_diffrn_radiation_type           electrons
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_R_factor_all          0.1972
_refine_ls_wR_factor_gt          0.4428
_cod_database_code               3000451
_cod_hold_until_date             2024-06-07
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
