1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine, C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline
Banks, R. E.; Madany, I. M.; Pritchard, R. G.; Acta Crystallographica Section C 49 (1993) 1988–1990; doi:10.1107/S0108270193005773

data_2001242
_publ_section_title
;
 1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine,
 C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of
 perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1988
_journal_page_last               1990
_journal_paper_doi               10.1107/S0108270193005773
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     'C15 H8 F6 N2'
_chemical_formula_sum            'C15 H8 F6 N2'
_chemical_formula_weight         330.23
_chemical_name_systematic
;
1,2,4-Trifluoro-3-(trifluoromethyl)-6,8-dimethylphenazine
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.705(4)
_cell_length_b                   7.2710(10)
_cell_length_c                   15.403(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      12.92
_cell_measurement_theta_min      8.67
_cell_volume                     2636.1(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'TEXSAN ORTEPII (Johnson, 1976)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution    'TEXSAN MITHRIL (Gilmore, 1984)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2-\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2570
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.0
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.1522
_exptl_absorpt_correction_type   'not applied'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_description       plate
_exptl_crystal_F_000             1328.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         -0.30
_refine_diff_density_min         0.31
_refine_ls_extinction_method     'Not applied'
_refine_ls_goodness_of_fit_obs   2.483
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         838
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.067
_refine_ls_shift/esd_max         0.0034
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          838
_reflns_number_total             2570
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            li1060.cif
_cod_data_source_block           U044
_cod_original_cell_volume        2636.0(10)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               2001242