data_3000602
loop_
_publ_author_name
'Borah, Silpi S.'
'Das, Kaustav'
'Ichiyanagi, Kouhei'
'Reddy, C. Malla'
'Sasaki, Toshiyuki'
'Nath, Naba K.'
_journal_name_full               'To be published'
_chemical_formula_sum            'C17 H20 N2 O3'
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.225(6)
_cell_angle_gamma                90
_cell_length_a                   18.1864(12)
_cell_length_b                   10.4493(4)
_cell_length_c                   8.9955(5)
_cell_measurement_temperature    352(2)
_cell_volume                     1709.30(16)
_diffrn_ambient_temperature      350(2)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.81022
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_R_factor_all          0.1906
_refine_ls_R_factor_gt           0.1267
_refine_ls_wR_factor_gt          0.3681
_cod_database_code               3000602
_cod_hold_until_date             2026-05-31
_cod_depositor_requested_release_date 2026-05-31
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
