Information card for entry 4115703

Structure parameters

• Common name: Compound 1
• Formula: C44 H54 Si2
• Calculated formula: C44 H54 Si2
• Title of publication: Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order
• Authors of publication: John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 9482 - 9483
• a: 7.565 ± 0.0015 Å
• b: 7.75 ± 0.0015 Å
• c: 16.835 ± 0.003 Å
• α: 89.15 ± 0.03°
• β: 78.42 ± 0.03°
• γ: 83.63 ± 0.03°
• Cell volume: 960.9 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No