Information card for entry 4104317

Structure parameters

• Formula: C32 H12 F14 N2 O4
• Calculated formula: C32 H12 F14 N2 O4
• SMILES: C1(=O)c2ccc3c4c2c(C(=O)N1CC(F)(F)C(F)(F)C(F)(F)F)ccc4c1ccc2C(=O)N(C(=O)c4c2c1c3cc4)CC(F)(F)C(F)(F)C(F)(F)F
• 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: 4.9104 ± 0.0004 Å
• b: 8.4835 ± 0.0007 Å
• c: 16.2891 ± 0.0013 Å
• α: 97.489 ± 0.004°
• β: 94.373 ± 0.004°
• γ: 98.033 ± 0.004°
• Cell volume: 663.08 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No