Information card for entry 4104318

Structure parameters

• Formula: C50 H26 Cl4 F14 N2 O4
• Calculated formula: C50 H26 Cl4 F14 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: 27.0649 ± 0.0012 Å
• b: 7.0704 ± 0.0003 Å
• c: 26.3217 ± 0.0013 Å
• α: 90°
• β: 114.671 ± 0.005°
• γ: 90°
• Cell volume: 4577.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No