Information card for entry 1544811

Structure parameters

• Formula: C14 H6 Br2 F4
• Calculated formula: C14 H6 Br2 F4
• SMILES: Brc1cc(F)c(c(F)c1)/C=C/c1c(F)cc(Br)cc1F
• 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: 10.453 ± 0.004 Å
• b: 4.7776 ± 0.0016 Å
• c: 12.787 ± 0.005 Å
• α: 90°
• β: 91.545 ± 0.006°
• γ: 90°
• Cell volume: 638.4 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No