Information card for entry 4000923

Structure parameters

• Formula: C22 H4 F8 O2
• Calculated formula: C22 H4 F8 O2
• SMILES: O=C1c2cc3c(cc2C(=O)c2c1cc1c(c2)c(F)c(c(c1F)F)F)c(F)c(c(c3F)F)F
• Title of publication: N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors
• Authors of publication: Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 6438
• a: 4.8938 ± 0.0003 Å
• b: 5.6273 ± 0.0003 Å
• c: 14.6838 ± 0.0009 Å
• α: 93.057 ± 0.001°
• β: 92.422 ± 0.001°
• γ: 98.455 ± 0.001°
• Cell volume: 398.9 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No