Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives
Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga; Journal of Materials Chemistry C 1 (2013) 3467–3481; doi:10.1039/C3TC30346B

data_7233220
_publ_section_title
;
 Synthesis, optical properties and charge transport characteristics of a
 series of novel thiophene-fused phenazine derivatives
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              3467
_journal_page_last               3481
_journal_paper_doi               10.1039/C3TC30346B
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'C44 H56 N2 S4 '
_chemical_formula_sum            'C44 H56 N2 S4'
_chemical_formula_weight         741.18
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.147(11)
_cell_angle_beta                 84.810(13)
_cell_angle_gamma                72.178(10)
_cell_formula_units_Z            1
_cell_length_a                   4.8942(14)
_cell_length_b                   12.751(3)
_cell_length_c                   17.057(5)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      2.7
_cell_volume                     983.7(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9314
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         31.30
_exptl_absorpt_coefficient_mu    0.275
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             398.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.427
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     254
_refine_ls_number_reflns         2671
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                2631
_reflns_number_total             4556
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_original_formula_sum        'C44 H56 N2 S4 '
_cod_database_code               7233220