Information card for entry 7201838

Structure parameters

• Formula: C46 H58 Si2
• Calculated formula: C46 H58 Si2
• SMILES: c1(c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#C[Si](C(C)C)(C(C)C)CCCC)C#C[Si](C(C)C)(C(C)C)CCCC
• 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: 8.884 ± 0.0002 Å
• b: 22.324 ± 0.0005 Å
• c: 10.797 ± 0.0003 Å
• α: 90°
• β: 110.146 ± 0.001°
• γ: 90°
• Cell volume: 2010.32 ± 0.09 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No