data_3000569
loop_
_publ_author_name
'Ismail Elhaty'
_journal_name_full               'To be published in BMC Chemistry'
_chemical_formula_sum            'C24 H24 N2 O3 S'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                71.950(3)
_cell_angle_beta                 87.659(3)
_cell_angle_gamma                80.236(3)
_cell_length_a                   9.8524(8)
_cell_length_b                   10.4162(8)
_cell_length_c                   11.2079(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1077.68(16)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1552
_cod_database_code               3000569
_cod_hold_until_date             2025-05-01
_cod_depositor_requested_release_date 2025-05-01
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
