Information card for entry 7235030

Structure parameters

• Formula: C32 H38 N2 O4 S
• Calculated formula: C32 H38 N2 O4 S
• Title of publication: Naphtho[2,3-b]thiophene diimide (NTI): a mono-functionalisable core-extended naphthalene diimide for electron-deficient architectures
• Authors of publication: Wangqiao Chen; Masahiro Nakano; Ji-Hoon Kim; Kazuo Takimiya; Qichun Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 8879 - 8883
• a: 21.7114 ± 0.0004 Å
• b: 4.9659 ± 0.0001 Å
• c: 26.7513 ± 0.0005 Å
• α: 90°
• β: 90.2752 ± 0.0009°
• γ: 90°
• Cell volume: 2884.2 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0733
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No