Information card for entry 7207379

Structure parameters

• Formula: C26 H8 Br2 F14 N2 O4
• Calculated formula: C26 H8 Br2 F14 N2 O4
• SMILES: c1(Br)c2cc3C(=O)N(C(=O)c3cc2c(c2cc3C(=O)N(C(=O)c3cc12)CC(F)(F)C(F)(F)C(F)(F)F)Br)CC(F)(F)C(F)(F)C(F)(F)F
• 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: 5.2396 ± 0.0002 Å
• b: 11.2287 ± 0.0004 Å
• c: 11.5459 ± 0.0005 Å
• α: 94.362 ± 0.003°
• β: 99.095 ± 0.002°
• γ: 103.466 ± 0.002°
• Cell volume: 647.79 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No