data_3000576
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C36 H38 N2 O10'
_chemical_name_systematic
;
6-((4'-nitro-[1,1' biphenyl]-4-yl)oxy)hexanoic acid (NO2-Bi-5-S)
;
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                77.36(4)
_cell_angle_beta                 79.82(4)
_cell_angle_gamma                74.59(4)
_cell_length_a                   8.407(5)
_cell_length_b                   12.100(6)
_cell_length_c                   17.651(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1675.6(16)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0647
_refine_ls_wR_factor_gt          0.1626
_refine_ls_wR_factor_ref         0.1910
_cod_database_code               3000576
_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
? ? ? ?
