Information card for entry 4111742

Structure parameters

• Formula: C52 H70 Si8
• Calculated formula: C52 H70 Si8
• Title of publication: Functionalized Higher Acenes: Hexacene and Heptacene
• Authors of publication: Marcia M. Payne; Sean R. Parkin; John E. Anthony
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 8028 - 8029
• a: 9.2305 ± 0.0004 Å
• b: 24.6811 ± 0.0013 Å
• c: 25.4062 ± 0.0012 Å
• α: 94.319 ± 0.003°
• β: 95.069 ± 0.003°
• γ: 91.02 ± 0.003°
• Cell volume: 5747.3 ± 0.5 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 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: 0.1598
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No