Information card for entry 4129678

Structure parameters

• Formula: C102 H96 Li6 N6 O12
• Calculated formula: C102 H96 Li6 N6 O12
• Title of publication: Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.
• Authors of publication: Jin, Kyoung Joo; Collum, David B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 45
• Pages of publication: 14446 - 14455
• a: 12.3105 ± 0.0006 Å
• b: 16.9749 ± 0.0009 Å
• c: 25.2304 ± 0.0013 Å
• α: 90°
• β: 103.885 ± 0.003°
• γ: 90°
• Cell volume: 5118.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No