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_7233217
_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         'C20 H8 N2 S4 '
_chemical_formula_sum            'C20 H8 N2 S4'
_chemical_formula_weight         404.54
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 108.820(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.064(19)
_cell_length_b                   3.894(4)
_cell_length_c                   25.72(3)
_cell_measurement_reflns_used    3959
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.3
_cell_volume                     1618(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      173.1
_diffrn_detector_area_resol_mean 29.26
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.785
_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  0.057
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            8676
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    0.594
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             824.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.257
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3021
_refine_ls_R_factor_gt           0.1130
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0116P)^2^+34.2210P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2638
_reflns_number_gt                2510
_reflns_number_total             3021
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_original_formula_sum        'C20 H8 N2 S4 '
_cod_database_code               7233217