Information card for entry 1514133

Structure parameters

• Formula: C37 H28 Al F15 N2
• Calculated formula: C37 H28 Al F15 N2
• SMILES: [Al](c1c(F)c(F)c(F)c(F)c1F)(Cc1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator
• Authors of publication: Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1966
• a: 9.8638 ± 0.0004 Å
• b: 10.5358 ± 0.0005 Å
• c: 18.0155 ± 0.0008 Å
• α: 81.532 ± 0.003°
• β: 77.639 ± 0.003°
• γ: 84.01 ± 0.003°
• Cell volume: 1803.74 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No