Information card for entry 4120492

Structure parameters

• Formula: C52 H72 Li4 N4 O4
• Calculated formula: C52 H72 Li4 N4 O4
• Title of publication: Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.
• Authors of publication: Bruneau, Angela M.; Liou, Lara; Collum, David B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 7
• Pages of publication: 2885 - 2891
• a: 10.6188 ± 0.0007 Å
• b: 21.8666 ± 0.0015 Å
• c: 21.4263 ± 0.0013 Å
• α: 90°
• β: 95.593 ± 0.002°
• γ: 90°
• Cell volume: 4951.4 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No