Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses
Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin; ACS Omega 6 (2021) 24973–24980; doi:10.1021/acsomega.1c04010

data_4519079
_publ_section_title
;
 Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their
 Efficient Syntheses
;
_journal_issue                   38
_journal_name_full               'ACS Omega'
_journal_page_first              24973
_journal_page_last               24980
_journal_paper_doi               10.1021/acsomega.1c04010
_journal_volume                  6
_journal_year                    2021
_chemical_formula_moiety         'C22 H24 O2 S3'
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;
1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one)
;
_space_group_crystal_system      monoclinic
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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(compiled Mar 27 2014,17:12:48)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
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'ORTEP (M. N. Burnett, C. K. Johnson, ORTEP-III: Oak Ridge Thermal Ellipsoid
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PLATON (A. L. Spek, Acta Crystallogr, Sect. A, 1990, 46, C34, 1995 version).
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_diffrn_reflns_av_unetI/netI     0.1828
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.333
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_exptl_crystal_size_mid          0.250
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_max          0.000
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1726
_reflns_number_total             3755
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao1c04010_si_002.cif
_cod_data_source_block           test3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4519079
_shelx_estimated_absorpt_t_min   0.881
_shelx_estimated_absorpt_t_max   0.996
_shelxl_version_number           2014-3
_shelx_res_checksum              27707
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