Information card for entry 4003205

Structure parameters

• Common name: NTz2T
• Chemical name: NTz2T
• Formula: C20 H12 N4 S4
• Calculated formula: C20 H12 N4 S4
• SMILES: c12nsnc1c(cc1c3c(c(cc21)c1cc(cs1)C)nsn3)c1cc(cs1)C
• Title of publication: Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers
• Authors of publication: Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 6558
• a: 11.7955 ± 0.0015 Å
• b: 8.5619 ± 0.0009 Å
• c: 18.814 ± 0.002 Å
• α: 90°
• β: 106.722 ± 0.0013°
• γ: 90°
• Cell volume: 1819.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No