data_3000605
loop_
_publ_author_name
'Bania, Ankur'
'Gogoi, Diptajyoti'
'Kalita, Nabadeep'
'Nakane, Takanori'
'Kawamoto, Akihiro'
'Althubeiti, Khaled'
'Sasaki, Toshiyuki'
'Kurisu, Genji'
'Thakuria, Ranjit'
_journal_name_full               'To be published'
_chemical_formula_sum            'C9 H14 N4 O6'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                74.412(15)
_cell_angle_beta                 75.956(14)
_cell_angle_gamma                71.464(14)
_cell_length_a                   7.2558(10)
_cell_length_b                   8.8651(16)
_cell_length_c                   10.860(2)
_cell_measurement_temperature    79
_cell_volume                     628.4(2)
_diffrn_ambient_temperature      79
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_R_factor_all          0.1927
_refine_ls_wR_factor_gt          0.4008
_cod_database_code               3000605
_cod_hold_until_date             2026-06-19
_cod_depositor_requested_release_date 2026-06-19
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
