data_3000578
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C24 H30 N2 O10'
_chemical_name_systematic
;
6-(4-nitrophenoxy)hexanoic acid  (NO2-Ph-5-S) 
;
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.745(1)
_cell_length_b                   14.380(2)
_cell_length_c                   26.310(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5200.3(10)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1200
_cod_database_code               3000578
_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
? ? ? ?
