Information card for entry 4126757

Structure parameters

• Formula: C28 H20 F2 S4
• Calculated formula: C28 H20 F2 S4
• SMILES: c1cc2C(c3cc(c4c(cc(c(c4)F)c4cc5C(c6ccsc6c5s4)(C)C)F)sc3c2s1)(C)C
• Title of publication: Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.
• Authors of publication: Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.3997 ± 0.0003 Å
• b: 13.7476 ± 0.0006 Å
• c: 26.6892 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.13 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No