Information card for entry 1544926

Structure parameters

• Formula: C24 H10 Al F15 O2
• Calculated formula: C24 H10 Al F15 O2
• SMILES: [Al]([O]=C1OCCCCC1)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism
• Authors of publication: Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 123
• a: 18.8274 ± 0.0007 Å
• b: 12.704 ± 0.0005 Å
• c: 19.8612 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4750.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No