Information card for entry 4104316

Structure parameters

• Common name: perylen
• Formula: C36 H6 F12 N2 O4
• Calculated formula: C36 H6 F12 N2 O4
• Title of publication: High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors
• Authors of publication: Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6215 - 6228
• a: 31.88 ± 0.002 Å
• b: 8.5607 ± 0.0006 Å
• c: 10.1357 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No