Information card for entry 7201840

Structure parameters

• Formula: C50 H66 Si2
• Calculated formula: C50 H66 Si2
• SMILES: c1(c2cc3ccccc3cc2c(c2cc3ccccc3cc12)C#C[Si](C(C)C)(C(C)C)CCCCCC)C#C[Si](CCCCCC)(C(C)C)C(C)C
• 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: 10.3715 ± 0.0002 Å
• b: 15.4649 ± 0.0002 Å
• c: 27.5066 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4411.9 ± 0.12 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No