2,5,<i>N</i>,<i>N</i>'-tétra-<i>tert</i>-butyl-<i>p</i>-phénylènediaminoxyl
Rodier, N.; Dvolaitzky, M.; Rassat, A.; Agafonov, V.; Céolin, R.; Acta Crystallographica Section C 49 (1993) 163–165; doi:10.1107/S010827019200862X

data_2002100
_publ_section_title
2,5,<i>N</i>,<i>N</i>'-t\'etra-<i>tert</i>-butyl-<i>p</i>-ph\'enyl\`enediaminoxyl
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              163
_journal_page_last               165
_journal_paper_doi               10.1107/S010827019200862X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H38 N2 O2'
_chemical_formula_weight         362.56
_space_group_IT_number           2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 115.130(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.459(2)
_cell_length_b                   9.887(2)
_cell_length_c                   11.735(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      43.09
_cell_measurement_theta_min      16.03
_cell_volume                     1098.6(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1773
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        4.0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.509
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Jaune-orang\'e
_exptl_crystal_density_diffrn    1.096
_exptl_crystal_description       Parall\'el\'epip\`ede
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       'g = 9.4E-6(2)'
_refine_ls_extinction_method     'Stout \& Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.089
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     176
_refine_ls_number_reflns         1591
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      exp10(sin\q/\l)^2^
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          1591
_reflns_number_total             1773
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1014.cif
_cod_data_source_block           pa1014_structure_1_of_1
_cod_original_cell_volume        1098.6(7)
_cod_original_sg_symbol_Hall     '-P 2ybc'
_cod_original_sg_symbol_H-M      'P 1 21/c 1'
_cod_database_code               2002100