Information card for entry 7118836

Structure parameters

• Common name: 5,5'-di(pyren-2-yl)-2,2'-bithiophene
• Chemical name: BPy2T
• Formula: C40 H22 S2
• Calculated formula: C40 H22 S2
• SMILES: s1c(c2cc3ccc4cccc5c4c3c(c2)cc5)ccc1c1sc(c2cc3c4c(c2)ccc2c4c(ccc2)cc3)cc1
• Title of publication: 2-Positional pyrene end-capped oligothiophenes for high performance organic field effect transistors.
• Authors of publication: Oniwa, Kazuaki; Kikuchi, Hiromasa; Shimotani, Hidekazu; Ikeda, Susumu; Asao, Naoki; Yamamoto, Yoshinori; Tanigaki, Katsumi; Jin, Tienan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 26
• Pages of publication: 4800 - 4803
• a: 22.725 ± 0.007 Å
• b: 3.8289 ± 0.0009 Å
• c: 15.667 ± 0.005 Å
• α: 90°
• β: 109.481 ± 0.015°
• γ: 90°
• Cell volume: 1285.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No