data_3000439
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            'C22 H30 N4 O5 S'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                78.613(2)
_cell_angle_beta                 80.880(3)
_cell_angle_gamma                87.127(3)
_cell_length_a                   8.3239(4)
_cell_length_b                   9.8354(5)
_cell_length_c                   14.1883(7)
_cell_measurement_temperature    296(2)
_cell_volume                     1124.11(10)
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1268
_cod_database_code               3000439
_cod_hold_until_date             2023-10-15
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?