Information card for entry 7104295

Structure parameters

• Formula: C22 H12 O2 S3
• Calculated formula: C22 H12 O2 S3
• SMILES: c12c(cc(C(=O)c3ccccc3)s2)sc2c1sc(c2)C(=O)c1ccccc1
• Title of publication: One-pot [1+1+1] synthesis of dithieno[2,3-b:3',2'-d]thiophene (DTT) and their functionalized derivatives for organic thin-film transistors.
• Authors of publication: Chen, Ming-Chou; Chiang, Yen-Ju; Kim, Choongik; Guo, Yue-Jhih; Chen, Sheng-Yu; Liang, You-Jhih; Huang, Yu-Wen; Hu, Tarng-Shiang; Lee, Gene-Hsiang; Facchetti, Antonio; Marks, Tobin J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 1846 - 1848
• a: 11.6446 ± 0.0005 Å
• b: 38.297 ± 0.0017 Å
• c: 3.8808 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.66 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No