Information card for entry 4110731

Structure parameters

• Formula: C40 H42
• Calculated formula: C40 H42
• SMILES: c1c2c(ccc(c2)/C=C/c2ccc(cc2)CCCCC)cc2c1ccc(c2)/C=C/c1ccc(cc1)CCCCC
• Title of publication: 2,6-Bis[2-(4-pentylphenyl)vinyl]anthracene: A Stable and High Charge Mobility Organic Semiconductor with Densely Packed Crystal Structure
• Authors of publication: Hong Meng; Fangping Sun; Marc B. Goldfinger; Feng Gao; David J. Londono; Will J. Marshal; Greg S. Blackman; Kerwin D. Dobbs; Dalen E. Keys
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9304 - 9305
• a: 67.66 ± 0.06 Å
• b: 7.23 ± 0.005 Å
• c: 5.848 ± 0.005 Å
• α: 90°
• β: 91.395 ± 0.011°
• γ: 90°
• Cell volume: 2860 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2774
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.3474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No