Information card for entry 7207380

Structure parameters

• Formula: C42 H24 F14 N4 O4
• Calculated formula: C42 H24 F14 N4 O4
• SMILES: C(F)(F)(F)C(C(CN1C(=O)c2cc3c(cc2C1=O)c(c1cc2C(=O)N(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)c2cc1c3C#N)C#N)(F)F)(F)F.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Anthracenedicarboximide-based semiconductors for air-stable, n-channel organic thin-film transistors: materials design, synthesis, and structural characterization
• Authors of publication: Usta, Hakan; Kim, Choongik; Wang, Zhiming; Lu, Shaofeng; Huang, Hui; Facchetti, Antonio; Marks, Tobin J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4459
• a: 5.5811 ± 0.0004 Å
• b: 8.4397 ± 0.0007 Å
• c: 20.1209 ± 0.0014 Å
• α: 90.954 ± 0.006°
• β: 91.204 ± 0.006°
• γ: 93.579 ± 0.007°
• Cell volume: 945.54 ± 0.12 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: 0.3874
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No