Pair Stacking of 10-(4-Nitrophenyl)-5(10<i>H</i>)-phenazinyl Radicals
Krieger, C.; Peraus, G.; Neugebauer, F. A.; Acta Crystallographica Section C 51 (1995) 1420–1423; doi:10.1107/S0108270195000941

data_2003676
_publ_section_title
;
 Pair Stacking of 10-(4-Nitrophenyl)-5(10<i>H</i>)-phenazinyl Radicals
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1420
_journal_page_last               1423
_journal_paper_doi               10.1107/S0108270195000941
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C18 H12 N3 O2,0.5C6 H6'
_chemical_formula_sum            'C21 H15 N3 O2'
_chemical_formula_weight         341.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                103.94(2)
_cell_angle_beta                 98.20(2)
_cell_angle_gamma                107.83(2)
_cell_formula_units_Z            2
_cell_length_a                   7.735(1)
_cell_length_b                   8.066(1)
_cell_length_c                   14.319(2)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    300
_cell_measurement_theta_max      16
_cell_measurement_theta_min      12
_cell_volume                     802.5(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4 four circle'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3280
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0871
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    none
_exptl_crystal_description       'isometric prisms'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.09
_refine_diff_density_min         -0.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.14
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     295
_refine_ls_number_reflns         1516
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;                    sigma
w = 1/\s^2^(F)
;
_refine_ls_wR_factor_obs         0.035
_reflns_number_observed          1561
_reflns_number_total             3145
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            jz1027.cif
_cod_data_source_block           jz1027a
_cod_original_cell_volume        802.4(6)
_cod_database_code               2003676