Information card for entry 4001368

Structure parameters

• Common name: ndi-8br2
• Chemical name: N,N'-bis(n-octyl)-2,6-dibromonaphthalene-1,4:5,8-tetracarboxylicdiimide
• Formula: C30 H36 Br2 N2 O4
• Calculated formula: C30 H36 Br2 N2 O4
• SMILES: CCCCCCCCN1C(=O)c2cc(Br)c3c4c2c(C1=O)c(Br)cc4C(=O)N(C3=O)CCCCCCCC
• Title of publication: Cyanonaphthalene Diimide Semiconductors for Air-Stable, Flexible, and Optically Transparent n-Channel Field-Effect Transistors
• Authors of publication: Jones, Brooks A.; Facchetti, Antonio; Marks, Tobin J.; Wasielewski, Michael R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2703
• a: 4.6807 ± 0.0008 Å
• b: 8.334 ± 0.0013 Å
• c: 18.206 ± 0.003 Å
• α: 86.392 ± 0.003°
• β: 83.962 ± 0.003°
• γ: 88.2 ± 0.003°
• Cell volume: 704.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No