Information card for entry 4089239

Structure parameters

• Formula: C40 H52 Li2 N2 O4
• Calculated formula: C40 H52 Li2 N2 O4
• SMILES: [O]1([Li]2[N]([C@H](c3ccccc3)C)([Li]([N]2([C@H](c2ccccc2)C)[C@H](c2ccccc2)C)[O]2CCOCC2)[C@H](c2ccccc2)C)CCOCC1
• 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: 9.3913 ± 0.0019 Å
• b: 15.521 ± 0.003 Å
• c: 12.764 ± 0.003 Å
• α: 90°
• β: 92.23 ± 0.03°
• γ: 90°
• Cell volume: 1859.1 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No