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_7218725
_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         'C48 H74 F7 N3'
_chemical_formula_sum            'C48 H74 F7 N3'
_chemical_formula_weight         826.12
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                89.460(6)
_cell_angle_beta                 84.761(6)
_cell_angle_gamma                87.863(6)
_cell_formula_units_Z            2
_cell_length_a                   5.5096(9)
_cell_length_b                   16.029(3)
_cell_length_c                   25.975(4)
_cell_measurement_reflns_used    6832
_cell_measurement_temperature    93
_cell_measurement_theta_max      68.12
_cell_measurement_theta_min      3.23
_cell_volume                     2282.7(7)
_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    'SHELXD (Schneider, et al., 2002)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.1018
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            26462
_diffrn_reflns_theta_full        68.18
_diffrn_reflns_theta_max         68.18
_diffrn_reflns_theta_min         3.24
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             892.00
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     525
_refine_ls_number_reflns         8116
_refine_ls_number_restraints     84
_refine_ls_R_factor_gt           0.0939
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1309P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2985
_reflns_number_gt                2876
_reflns_number_total             8116
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4ra09342a2.cif
_cod_data_source_block           GIFU.Univ.
_cod_database_code               7218725