Information card for entry 7234417

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: 18.6511 ± 0.0005 Å
• b: 19.2711 ± 0.0005 Å
• c: 16.3771 ± 0.0004 Å
• α: 90°
• β: 106.356 ± 0.002°
• γ: 90°
• Cell volume: 5648.2 ± 0.3 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: 0.1265
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No