data_3000579
loop_
_publ_author_name
Zugenmaier
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'C8 H9 N O3'
_chemical_name_systematic
;
  1-ethoxy-4-nitrobenzene (NO2-Ph-1)
;
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.79(3)
_cell_angle_gamma                90
_cell_length_a                   7.498(5)
_cell_length_b                   11.813(4)
_cell_length_c                   9.564(7)
_cell_measurement_temperature    290(2)
_cell_volume                     815.2(9)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1116
_cod_database_code               3000579
_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
? ? ? ?
