Information card for entry 4086336

Structure parameters

• Formula: C35 H43 Al F4 N2
• Calculated formula: C35 H43 Al F4 N2
• SMILES: [Al]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(F)c1c(F)cc(F)c(F)c1
• Title of publication: Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center
• Authors of publication: Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 5363
• a: 12.1958 ± 0.0003 Å
• b: 22.386 ± 0.0005 Å
• c: 12.599 ± 0.0003 Å
• α: 90°
• β: 109.438 ± 0.0011°
• γ: 90°
• Cell volume: 3243.66 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No