Information card for entry 7109537

Structure parameters

• Formula: C50 H48 Si
• Calculated formula: C50 H48 Si
• 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: 9.2544 ± 0.0002 Å
• b: 18.2908 ± 0.0005 Å
• c: 24.1358 ± 0.0005 Å
• α: 90.662 ± 0.002°
• β: 98.7052 ± 0.0019°
• γ: 103.547 ± 0.002°
• Cell volume: 3921.36 ± 0.16 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0875
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No