data_3000438
loop_
_publ_author_name
'Gogoi, Diptajyoti'
'Sasaki, Toshiyuki'
'Nakane, Takanori'
'Kawamoto, Akihiro'
'Hojo, Hironobu'
'Kurisu, Genji'
'Thakuria, Ranjit'
_journal_name_full               'To be published'
_chemical_formula_sum            'C19 H22 N4 O4 S'
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 87.44
_cell_angle_gamma                90
_cell_length_a                   10.914
_cell_length_b                   8.223
_cell_length_c                   10.386
_cell_measurement_temperature    79
_cell_volume                     931.170
_diffrn_ambient_temperature      79
_diffrn_radiation_type           electrons
_diffrn_radiation_wavelength     0.02508
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_R_factor_all          0.1371
_refine_ls_R_factor_gt           0.1097
_refine_ls_wR_factor_gt          0.2921
_refine_ls_wR_factor_ref         0.3026
_cod_database_code               3000438
_cod_hold_until_date             2023-10-15
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?