Information card for entry 7234416

Structure parameters

• Formula: C32 H36 S2 Si
• Calculated formula: C32 H36 S2 Si
• Title of publication: The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes
• Authors of publication: Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8956 - 8962
• a: 13.9118 ± 0.0001 Å
• b: 8.7857 ± 0.0001 Å
• c: 23.9007 ± 0.0002 Å
• α: 90°
• β: 105.83 ± 0.0003°
• γ: 90°
• Cell volume: 2810.48 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No