Information card for entry 7201837

Structure parameters

• Formula: C54 H74 Si2
• Calculated formula: C54 H74 Si2
• Title of publication: The influence of side chains on the structures and properties of functionalized pentacenes
• Authors of publication: Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 1961
• a: 8.8577 ± 0.0001 Å
• b: 11.129 ± 0.0001 Å
• c: 12.5975 ± 0.0001 Å
• α: 101.919 ± 0.0004°
• β: 93.8211 ± 0.0004°
• γ: 101.29 ± 0.0004°
• Cell volume: 1184.1 ± 0.02 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No