Information card for entry 4104166

Structure parameters

• Formula: C42 H47 F5 S Si2
• Calculated formula: C42 H47 F5 S Si2
• Title of publication: Correlating Carrier Type with Frontier Molecular Orbital Energy Levels in Organic Thin Film Transistors of Functionalized Acene Derivatives
• Authors of publication: Ming L. Tang; Anna D. Reichardt; Peng Wei; Zhenan Bao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5264 - 5273
• a: 7.4762 ± 0.0005 Å
• b: 8.045 ± 0.0006 Å
• c: 16.43 ± 0.0011 Å
• α: 102.104 ± 0.004°
• β: 90.77 ± 0.004°
• γ: 96.343 ± 0.004°
• Cell volume: 959.63 ± 0.12 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No