Information card for entry 4119707

Structure parameters

• Formula: C30 H27 Al F15 N2 O P
• Calculated formula: C30 H27 Al F15 N2 O P
• SMILES: [Al](ON=N[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O
• Authors of publication: Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6446 - 6449
• a: 10.4886 ± 0.0002 Å
• b: 14.3224 ± 0.0003 Å
• c: 21.3093 ± 0.0005 Å
• α: 90°
• β: 94.702 ± 0.001°
• γ: 90°
• Cell volume: 3190.35 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No