Information card for entry 7109538

Structure parameters

• Formula: C47 H41 F Si
• Calculated formula: C47 H41 F Si
• SMILES: C(#Cc1c2c(c(c3c1cc1ccccc1c3)c1c3c(c(c4c1cccc4)F)cccc3)cc1ccccc1c2)[Si](C(C)C)(C(C)C)C(C)C
• 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: 12.5164 ± 0.0009 Å
• b: 12.9102 ± 0.001 Å
• c: 13.3024 ± 0.0011 Å
• α: 85.827 ± 0.007°
• β: 62.967 ± 0.008°
• γ: 72.234 ± 0.007°
• Cell volume: 1817.9 ± 0.3 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No