Information card for entry 1546311

Structure parameters

• Formula: C27 H26 N2 O2 S2
• Calculated formula: C26.86 H25.895 N2 O2 S1.965
• SMILES: s1cccc1c1ccc(O)c(c1)/C=N/CC(C)(C)C/N=C/c1c(O)ccc(c1)c1sccc1
• Title of publication: Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers
• Authors of publication: Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 5.7227 ± 0.0018 Å
• b: 12.3378 ± 0.0037 Å
• c: 33.1425 ± 0.0107 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No