data_3000573
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C20 H24 N2 O6'
_chemical_name_systematic
;
4-((4'-nitro-[1,1' biphenyl]-4-yl)oxy)butanoic acid 
N,N-dimethylacetamide (NO2-Bi-3-S-DMAc)
;
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.08(2)
_cell_angle_gamma                90
_cell_length_a                   11.265(3)
_cell_length_b                   6.999(2)
_cell_length_c                   13.202(4)
_cell_measurement_temperature    293(2)
_cell_volume                     989.5(5)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0973
_cod_database_code               3000573
_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
? ? ? ?
