Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties
Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki; RSC Adv. 4 (2014) 59387–; doi:10.1039/C4RA09342A

data_7218724
_publ_section_title
;
 Effects of the alkyl group in (dialkylamino)perfluorophenazines on the
 melting point and fluorescence properties
;
_journal_issue                   103
_journal_name_full               'RSC Adv.'
_journal_page_first              59387
_journal_paper_doi               10.1039/C4RA09342A
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C14 H6 F7 N3'
_chemical_formula_sum            'C14 H6 F7 N3'
_chemical_formula_weight         349.21
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.408(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   21.7935(6)
_cell_length_b                   4.37356(11)
_cell_length_c                   26.8772(7)
_cell_measurement_reflns_used    26384
_cell_measurement_temperature    93
_cell_measurement_theta_max      68.24
_cell_measurement_theta_min      3.74
_cell_volume                     2554.23(12)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26719
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.24
_diffrn_reflns_theta_min         3.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.651
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1392.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     437
_refine_ls_number_reflns         4664
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0580P)^2^+8.6095P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1728
_reflns_number_gt                3921
_reflns_number_total             4664
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4ra09342a2.cif
_cod_data_source_block           GIFU_Univ.
_cod_original_cell_volume        2554.23(11)
_cod_database_code               7218724