Information card for entry 4121818

Structure parameters

• Formula: C54 H58 Si2
• Calculated formula: C54 H58 Si2
• SMILES: c1c2ccccc2cc2c1c(c1c3c2ccc2c(c4cc5ccccc5cc4c(c32)cc1)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.
• Authors of publication: Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 26
• Pages of publication: 9248 - 9251
• a: 8.9841 ± 0.0011 Å
• b: 9.7368 ± 0.0016 Å
• c: 13.51 ± 0.002 Å
• α: 75.34 ± 0.014°
• β: 70.337 ± 0.013°
• γ: 90.051 ± 0.014°
• Cell volume: 1071.8 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.132
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No