data_3000581
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C18 H20 N2 O6'
_chemical_name_systematic
;
2-((4'-nitro-[1,1'  biphenyl]-4-yl)oxy)ethanic acid 
N,N-dimethylacetamide (NO2-Bi-1-S-DMAc)
;
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                109.41(2)
_cell_angle_beta                 91.64(2)
_cell_angle_gamma                96.26(2)
_cell_length_a                   5.936(2)
_cell_length_b                   11.423(3)
_cell_length_c                   14.004(3)
_cell_measurement_temperature    293(2)
_cell_volume                     888.1(4)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1025
_cod_database_code               3000581
_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
? ? ? ?
