Information card for entry 1551113

Structure parameters

• Formula: C20 H22 Cl3 N O S Ti
• Calculated formula: C20 H22 Cl3 N O S Ti
• SMILES: [Ti]12([S](CC[N]1=C(C=C(O2)c1ccc(cc1)C)c1ccc(cc1)C)C)(Cl)(Cl)Cl
• Title of publication: An efficient and mild route to highly fluorinated polyolefins via copolymerization of ethylene and 5-perfluoroalkylnorbornenes
• Authors of publication: Ji, Li; Liu, Jia-Shuai; Wang, Xiao-Yan; Li, Jun-Fang; Chen, Zhou; Liao, Saihu; Sun, Xiu-Li; Tang, Yong
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 3604
• a: 11.7525 ± 0.0006 Å
• b: 13.7868 ± 0.0008 Å
• c: 15.8335 ± 0.0009 Å
• α: 90°
• β: 99.701 ± 0.001°
• γ: 90°
• Cell volume: 2528.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No