4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.
Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori; The Journal of organic chemistry 79 (2014) 1068–; doi:10.1021/jo402522y

data_4029032
_publ_section_title
;
 4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a
 Water-Soluble Fluorescent Dye.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1068
_journal_paper_doi               10.1021/jo402522y
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C14 H12 N3 O2 S '
_chemical_formula_sum            'C14 H12 N3 O2 S'
_chemical_formula_weight         286.33
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.193(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.549(3)
_cell_length_b                   5.7568(12)
_cell_length_c                   14.436(3)
_cell_measurement_reflns_used    2369
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      3.1
_cell_volume                     1208.8(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            1496
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.273
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             596.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   5.750
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     168
_refine_ls_number_reflns         1009
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0561
_reflns_number_gt                1001
_reflns_number_total             1496
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo402522y_si_002.cif
_cod_data_source_block           '_nokubi'
_cod_original_formula_sum        'C14 H12 N3 O2 S '
_cod_database_code               4029032