Information card for entry 4102561

Structure parameters

• Formula: C36 H29 N3 O3 S2
• Calculated formula: C36 H29 N3 O3 S2
• Title of publication: Organic n-Channel Field-Effect Transistors Based on Arylenediimide-Thiophene Derivatives
• Authors of publication: Rocío Ponce Ortiz; Helena Herrera; Raúl Blanco; Hui Huang; Antonio Facchetti; Tobin J. Marks; Yan Zheng; José L. Segura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 8440 - 8452
• a: 40.194 ± 0.002 Å
• b: 7.0805 ± 0.0004 Å
• c: 26.8602 ± 0.0014 Å
• α: 90°
• β: 130.586 ± 0.004°
• γ: 90°
• Cell volume: 5805.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No