data_3000577
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C16 H15 N O5'
_chemical_name_systematic
;
4-((4'-nitro-[1,1'- biphenyl]-4-yl)oxy)butanoic acid (NO2-Bi-3S)
;
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                104.24(2)
_cell_angle_beta                 110.67(2)
_cell_angle_gamma                92.76(2)
_cell_length_a                   9.931(3)
_cell_length_b                   11.924(3)
_cell_length_c                   13.344(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1417.1(9)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0999
_cod_database_code               3000577
_cod_hold_until_date             2025-06-19
_cod_depositor_requested_release_date 2025-06-19
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
