data_3000314
loop_
_publ_author_name
'Ellis, Jonathan'
'Campbell, Meghan'
'Kumar, Prasanth'
'Geunes, Eric'
'Buller, Andrew'
_publ_section_title
;
 (2S,4S)-2-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
;
_journal_name_full               'To be published'
_diffrn_ambient_temperature      100.01
_cell_measurement_temperature    100(2)
_chemical_formula_sum            'C10 H14 Br N O4'
_cell_length_a                   7.4261(18)
_cell_length_b                   5.3296(16)
_cell_length_c                   15.004(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.077(15)
_cell_angle_gamma                90
_cell_volume                     576.0(3)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_refine_ls_R_factor_all          0.0145
_refine_ls_R_factor_gt           0.0143
_refine_ls_wR_factor_gt          0.0388
_refine_ls_wR_factor_ref         0.0389
_refine_ls_goodness_of_fit_ref   1.086
_cod_hold_until_date             2021-12-04
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
