Information card for entry 4122892

Structure parameters

• Formula: C44.5 H44 Cl N5 O2 S5
• Calculated formula: C44.5 H44 Cl N5 O2 S5
• Title of publication: Two-Dimensional π-Expanded Quinoidal Terthiophenes Terminated with Dicyanomethylenes as n-Type Semiconductors for High-Performance Organic Thin-Film Transistors.
• Authors of publication: Zhang, Cheng; Zang, Yaping; Gann, Eliot; McNeill, Christopher R.; Zhu, Xiaozhang; Di, Chong-An; Zhu, Daoben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141106072905001
• a: 13.212 ± 0.003 Å
• b: 37.811 ± 0.008 Å
• c: 10.198 ± 0.002 Å
• α: 90°
• β: 109.57 ± 0.03°
• γ: 90°
• Cell volume: 4800 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1704
• Residual factor for significantly intense reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.4288
• Weighted residual factors for all reflections included in the refinement: 0.4522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No