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Information card for entry 4519079
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Coordinates | 4519079.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one) |
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Formula | C22 H24 O2 S3 |
Calculated formula | C22 H24 O2 S3 |
Title of publication | Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses |
Authors of publication | Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin |
Journal of publication | ACS Omega |
Year of publication | 2021 |
Journal volume | 6 |
Journal issue | 38 |
Pages of publication | 24973 - 24980 |
a | 5.9104 ± 0.0013 Å |
b | 11.2158 ± 0.0016 Å |
c | 31.305 ± 0.008 Å |
α | 90° |
β | 90.21 ± 0.02° |
γ | 90° |
Cell volume | 2075.2 ± 0.8 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1885 |
Residual factor for significantly intense reflections | 0.0798 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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