Information card for entry 4086337

Structure parameters

• Formula: C35 H52 Al F N2
• Calculated formula: C35 H52 Al F N2
• SMILES: CC1=CC(C)=[N]([Al](F)(N1c1c(C(C)C)cccc1C(C)C)C1CCCCC1)c1c(cccc1C(C)C)C(C)C
• 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: 8.9145 ± 0.0006 Å
• b: 19.8791 ± 0.0012 Å
• c: 10.0955 ± 0.0006 Å
• α: 90°
• β: 114.254 ± 0.0017°
• γ: 90°
• Cell volume: 1631.13 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No