Information card for entry 7104296

Structure parameters

• Formula: C22 H2 F10 O2 S3
• Calculated formula: C22 H2 F10 O2 S3
• SMILES: s1c2c(sc(c2)C(=O)c2c(c(c(c(c2F)F)F)F)F)c2sc(cc12)C(=O)c1c(c(c(c(c1F)F)F)F)F
• 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: 6.1883 ± 0.0003 Å
• b: 9.334 ± 0.0005 Å
• c: 18.096 ± 0.001 Å
• α: 103.105 ± 0.001°
• β: 97.954 ± 0.001°
• γ: 93.81 ± 0.001°
• Cell volume: 1003.04 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No