Information card for entry 1544813

Structure parameters

• Formula: C33 H18 F6 S3
• Calculated formula: C33 H18 F6 S3
• Title of publication: Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks
• Authors of publication: Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 879
• a: 6.538 ± 0.003 Å
• b: 22.32 ± 0.009 Å
• c: 17.876 ± 0.007 Å
• α: 90°
• β: 95.624 ± 0.005°
• γ: 90°
• Cell volume: 2596.1 ± 1.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.1579
• Residual factor for significantly intense reflections: 0.1478
• Weighted residual factors for significantly intense reflections: 0.3519
• Weighted residual factors for all reflections included in the refinement: 0.3586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No