Information card for entry 1508310

Structure parameters

• Formula: C20 H14 S2
• Calculated formula: C20 H14 S2
• SMILES: s1c(cc2c1cc1c(c2)cc2c(cc3sc(cc3c2)C)c1)C
• Title of publication: Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.
• Authors of publication: Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4062 - 4065
• a: 5.885 ± 0.005 Å
• b: 7.453 ± 0.007 Å
• c: 17.08 ± 0.017 Å
• α: 90°
• β: 90.927 ± 0.012°
• γ: 90°
• Cell volume: 749 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No