data_3000485
loop_
_publ_author_name
'Aidar T. Gubaidullin'
_journal_name_full               'To be published in Russian Chemical Bulletin'
_chemical_formula_sum            'C21 H22 Br N5 O2'
_chemical_name_systematic
;
3?-oxo-1,3,3?,4?-tetrahydro-1?H-spiro[imidazo[1,2-a]
quinoline-2,2?-quinoxalin]-10-ium bromide
;
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                90.952(3)
_cell_angle_beta                 100.320(2)
_cell_angle_gamma                97.127(3)
_cell_length_a                   9.1857(7)
_cell_length_b                   9.7780(8)
_cell_length_c                   11.8397(9)
_cell_measurement_temperature    111(2)
_cell_volume                     1037.31(14)
_diffrn_ambient_temperature      111(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0245
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0658
_cod_database_code               3000485
_cod_hold_until_date             2024-07-21
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
