Information card for entry 7103002

Structure parameters

• Formula: C18 H10 S2
• Calculated formula: C18 H10 S2
• SMILES: c12c(c3c(cccc3)s1)cc1c(c2)c2c(cccc2)s1
• Title of publication: Benzo[1,2-b:4,5-b']bis[b]benzothiophene as solution processible organic semiconductor for field-effect transistors.
• Authors of publication: Gao, Peng; Beckmann, Dirk; Tsao, Hoi Nok; Feng, Xinliang; Enkelmann, Volker; Pisula, Wojciech; Müllen, Klaus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1548 - 1550
• a: 9.4941 ± 0.0005 Å
• b: 5.9036 ± 0.0004 Å
• c: 11.5824 ± 0.0005 Å
• α: 90°
• β: 102.938 ± 0.0013°
• γ: 90°
• Cell volume: 632.71 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No