Linear Heterocyclic Aromatic Fluorescence Compounds Having Various Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond and Carbon-Nitrogen Bond Cross-Coupling Reactions
Bin Hu; Shu-Jun Fu; Feng Xu; Tao Tao; Hao-Yu Zhu; Kou-Sen Cao; Wei Huang; Xiao-Zeng You; Journal of Organic Chemistry 76 (2011) 4444–4456; doi:10.1021/jo200065d

data_4026346
_publ_section_title
;
 Linear Heterocyclic Aromatic Fluorescence Compounds Having Various
 Donor-Acceptor Spacers Prepared by the Combination of Carbon-Carbon Bond
 and Carbon-Nitrogen Bond Cross-Coupling Reactions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4444
_journal_page_last               4456
_journal_paper_doi               10.1021/jo200065d
_journal_volume                  76
_journal_year                    2011
_chemical_formula_moiety         'C20 H16 N4 S3'
_chemical_formula_sum            'C20 H16 N4 S3'
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_cell_angle_beta                 101.187(8)
_cell_angle_gamma                90.00
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_cell_length_a                   7.973(5)
_cell_length_b                   22.289(13)
_cell_length_c                   10.729(6)
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_computing_cell_refinement       SMART
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_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
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_diffrn_ambient_temperature      291(2)
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_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            red
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0496P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                2299
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo200065d_si_002_11.cif
_cod_data_source_block           21
_cod_original_cell_volume        1870.6(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4026346