data_3000424
loop_
_publ_author_name
'Toshiyuki Sasaki'
_journal_name_full               'To be published in CrystEngComm'
_chemical_formula_sum            'C6 H8 N3 O2'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.67
_cell_angle_gamma                90
_cell_length_a                   10.759
_cell_length_b                   5.200
_cell_length_c                   12.760
_cell_measurement_temperature    79
_cell_volume                     713.832
_diffrn_ambient_temperature      79
_diffrn_radiation_type           electrons
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_R_factor_all          0.1822
_refine_ls_R_factor_gt           0.1120
_refine_ls_wR_factor_gt          0.2990
_refine_ls_wR_factor_ref         0.3195
_cod_database_code               3000424
_cod_hold_until_date             2023-05-14
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?