data_3000604
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            'C7 H6 O4'
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.801(15)
_cell_angle_gamma                90
_cell_length_a                   3.6740(6)
_cell_length_b                   22.230(2)
_cell_length_c                   8.0598(8)
_cell_measurement_temperature    79
_cell_volume                     648.66(14)
_diffrn_ambient_temperature      79
_diffrn_radiation_probe          electron
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_R_factor_all          0.2006
_refine_ls_wR_factor_gt          0.4061
_cod_database_code               3000604
_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
? ? ? ?
