Information card for entry 8000481

Structure parameters

• Formula: C38 H14 F10 N4 O4
• Calculated formula: C38 H14 F10 N4 O4
• Title of publication: Role of Perfluorophenyl Group in the Side Chain of Small-Molecule n-Type Organic Semiconductors in Stress Stability of Single-Crystal Transistors
• Authors of publication: Kumagai, Shohei; Yu, Craig P.; Nakano, Shunsuke; Annaka, Tatsuro; Mitani, Masato; Yano, Masafumi; Ishii, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2021
• Pages of publication: 2095 - 2101
• a: 4.8681 ± 0.0006 Å
• b: 7.9922 ± 0.0009 Å
• c: 37.653 ± 0.005 Å
• α: 90°
• β: 92.913 ± 0.007°
• γ: 90°
• Cell volume: 1463.1 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2389
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No