data_3000475
loop_
_publ_author_name
'Deka, Poonam'
'Jaiswal, Shilpi'
'Sarma, Parishmita'
'Bora, Debajit'
'Nakane, Takanori'
'Kawamoto, Akihiro'
'Kurisu, Genji'
'Mahanta, Sanjeev Pran'
'Patra, Abhijit'
'Ichiyanagi, Kouhei'
'Sasaki, Toshiyuki'
'Thakuria, Ranjit'
_journal_name_full               'To be published'
_chemical_formula_sum            'C9 H8 N O2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                74.649(7)
_cell_angle_beta                 84.853(9)
_cell_angle_gamma                78.442(7)
_cell_length_a                   4.6343(8)
_cell_length_b                   7.5342(12)
_cell_length_c                   12.9284(19)
_cell_measurement_temperature    296(2)
_cell_volume                     426.15(12)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0959
_refine_ls_wR_factor_gt          0.2574
_refine_ls_wR_factor_ref         0.2851
_cod_database_code               3000475
_cod_hold_until_date             2024-12-10
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
