Information card for entry 4115702

Structure parameters

• Common name: Compound 2
• 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: 28.222 ± 0.003 Å
• b: 18.904 ± 0.002 Å
• c: 14.555 ± 0.002 Å
• α: 90°
• β: 92.713 ± 0.01°
• γ: 90°
• Cell volume: 7756.5 ± 1.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No