Information card for entry 4123685

Structure parameters

• Formula: C18 H8 S4
• Calculated formula: C18 H8 S4
• SMILES: s1ccc2c1cc1sc3c(sc4c3cc3c(scc3)c4)c1c2
• Title of publication: Dibenzothiopheno[6,5-b:6',5'-f]thieno[3,2-b]thiophene (DBTTT): High-Performance Small-Molecule Organic Semiconductor for Field-Effect Transistors.
• Authors of publication: Park, Jeong-Il; Chung, Jong Won; Kim, Joo-Young; Lee, Jiyoul; Jung, Ji Young; Koo, Bonwon; Lee, Bang-Lin; Lee, Soon W.; Jin, Yong Wan; Lee, Sang Yoon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12175 - 12178
• a: 5.9129 ± 0.0001 Å
• b: 7.8545 ± 0.0002 Å
• c: 31.0943 ± 0.0008 Å
• α: 90°
• β: 91.527 ± 0.001°
• γ: 90°
• Cell volume: 1443.6 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No