Information card for entry 4000756

Structure parameters

• Formula: C30 H15 F5
• Calculated formula: C30 H15 F5
• SMILES: c1ccc2c(c1)cc1c(c2c2c(F)c(F)c(c(c2F)F)F)cc2c(c1c1ccccc1)cccc2
• 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: 7.03676 ± 0.00013 Å
• b: 11.5431 ± 0.0002 Å
• c: 13.8379 ± 0.001 Å
• α: 76.874 ± 0.005°
• β: 75.87 ± 0.005°
• γ: 74.923 ± 0.005°
• Cell volume: 1036.28 ± 0.09 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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 significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No