Information card for entry 4000969

Structure parameters

• Formula: C30 H18 F4 N2 O4
• Calculated formula: C30 H18 F4 N2 O4
• SMILES: Fc1cc(CCN2C(=O)c3ccc4c5c3c(C2=O)ccc5C(=O)N(C4=O)CCc2cc(F)cc(c2)F)cc(c1)F
• Title of publication: Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors
• Authors of publication: Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 94
• a: 6.622 ± 0.0001 Å
• b: 22.2242 ± 0.0004 Å
• c: 7.8567 ± 0.0002 Å
• α: 90°
• β: 92.006 ± 0.002°
• γ: 90°
• Cell volume: 1155.55 ± 0.04 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0559
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No