Information card for entry 4089241

Structure parameters

• Formula: C22 H34 Li N3
• Calculated formula: C22 H34 Li N3
• SMILES: [Li]1([N](CC[N]1(C)C)(C)C)N([C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C
• Title of publication: Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes
• Authors of publication: Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1496
• a: 12.032 ± 0.002 Å
• b: 9.1089 ± 0.0018 Å
• c: 10.178 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No