Information card for entry 7155493

Structure parameters

• Formula: C23 H8 F20
• Calculated formula: C23 H8 F20
• SMILES: FC(F)(c1c2c(c(C(F)(F)F)c3ccccc13)cccc2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Synthesis of perfluoroalkylated pentacenes and evaluation of their fundamental physical properties.
• Authors of publication: Yamada, Shigeyuki; Kinoshita, Keita; Iwama, Shota; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko; Yamamoto, Kyoko; Tahara, Shinya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2522 - 2535
• a: 16.244 ± 0.006 Å
• b: 11.619 ± 0.004 Å
• c: 12.748 ± 0.005 Å
• α: 90°
• β: 73.966 ± 0.006°
• γ: 90°
• Cell volume: 2312.4 ± 1.5 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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 all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No