Information card for entry 7109536

Structure parameters

• Formula: C47 H42 Si
• Calculated formula: C47 H42 Si
• SMILES: C(#C[Si](C(C)C)(C(C)C)C(C)C)c1c2cc3ccccc3cc2c(c2cc3ccccc3cc12)c1c2ccccc2cc2ccccc12
• Title of publication: An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors
• Authors of publication: Sebastian H. Etschel; Andreas R. Waterloo; Johannes T. Margraf; Atefeh Y. Amin; Frank Hampel; Christof M. Jager; Timothy Clark; Marcus Halik; Rik R. Tykwinski
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6725
• a: 7.6889 ± 0.0003 Å
• b: 31.588 ± 0.0011 Å
• c: 14.4774 ± 0.0004 Å
• α: 90°
• β: 91.378 ± 0.004°
• γ: 90°
• Cell volume: 3515.2 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.067
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No