Synthesis and spectral properties of a highly soluble push-pull type of quinoidal thiophenes.
Takahashi, Toshiaki; Takimiya, Kazuo; Otsubo, Tetsuo; Aso, Yoshio; Organic letters 7 (2005) 4313–4316; doi:10.1021/ol0513037

data_1506649
_publ_section_title
;
 Synthesis and spectral properties of a highly soluble push-pull type of
 quinoidal thiophenes.
;
_journal_issue                   20
_journal_name_full               'Organic letters'
_journal_page_first              4313
_journal_page_last               4316
_journal_paper_doi               10.1021/ol0513037
_journal_volume                  7
_journal_year                    2005
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_chemical_formula_sum            'C40 H54 N2 O4 S4'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                97.01(6)
_cell_angle_beta                 98.04(5)
_cell_angle_gamma                98.57(7)
_cell_formula_units_Z            2
_cell_length_a                   12.77(1)
_cell_length_b                   17.90(2)
_cell_length_c                   9.388(5)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      8.9
_cell_measurement_theta_min      3.6
_cell_volume                     2079(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure 3.6.0'
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_diffrn_measured_fraction_theta_max 0.9993
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       16
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_diffrn_standards_decay_%        -0.22
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_exptl_absorpt_coefficient_mu    0.268
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.960
_exptl_absorpt_correction_type   psi-scans
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_exptl_crystal_colour            black
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_mid          0.08
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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