Information card for entry 4121817

Structure parameters

• Formula: C64 H78 Si2
• Calculated formula: C64 H78 Si2
• SMILES: [Si](C#Cc1c2cc3ccccc3cc2c2ccc3c(c4cc5ccccc5cc4c4ccc1c2c34)C#C[Si](C(C)C)(C(C)C)CCCCCCCC)(C(C)C)(C(C)C)CCCCCCCC
• 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: 11.7625 ± 0.0003 Å
• b: 12.8916 ± 0.0003 Å
• c: 18.7532 ± 0.0004 Å
• α: 97.595 ± 0.002°
• β: 106.386 ± 0.001°
• γ: 95.691 ± 0.002°
• Cell volume: 2676.27 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No