Information card for entry 4000757

Structure parameters

• Formula: C30 H20
• Calculated formula: C30 H20
• SMILES: c1ccc(cc1)c1c2cc3ccccc3c(c2cc2c1cccc2)c1ccccc1
• Title of publication: Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties
• Authors of publication: Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1646
• a: 9.2589 ± 0.0007 Å
• b: 10.9073 ± 0.0008 Å
• c: 10.9164 ± 0.0009 Å
• α: 66.773 ± 0.004°
• β: 80.036 ± 0.004°
• γ: 89.745 ± 0.005°
• Cell volume: 995.33 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No