Information card for entry 1514135

Structure parameters

• Formula: C40 H26 Al F15 N2
• Calculated formula: C40 H26 Al F15 N2
• SMILES: [Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(Cc1n(c2c(C)cc(cc2C)C)cc[n+]1c1c(C)cc(cc1C)C)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: 10.2014 ± 0.0006 Å
• b: 17.3415 ± 0.0011 Å
• c: 20.5293 ± 0.0011 Å
• α: 90°
• β: 96.982 ± 0.005°
• γ: 90°
• Cell volume: 3604.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2083
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No