data_3000165
loop_
_publ_author_name
Roszak
'Katrusiak, Andrzej'
_publ_section_title
;
 ?
;
_journal_name_full               'To be published'
_diffrn_ambient_temperature      296(2)
_cell_measurement_temperature    296(2)
_chemical_name_systematic
;
 ? 
;
_chemical_formula_sum            'C9 H10 Br N O2'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_length_a                   7.3480(2)
_cell_length_b                   7.6000(2)
_cell_length_c                   10.0689(3)
_cell_angle_alpha                110.318(2)
_cell_angle_beta                 110.679(2)
_cell_angle_gamma                92.541(2)
_cell_volume                     484.32(3)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0217
_refine_ls_wR_factor_gt          0.0596
_refine_ls_wR_factor_ref         0.0597
_refine_ls_goodness_of_fit_ref   1.079
_cod_hold_until_date             2018-06-10
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
