Information card for entry 4130967

Structure parameters

• Chemical name: Pinacolone enolate
• Formula: C18 H33 Li3 O3
• Calculated formula: C18 H33 Li3 O3
• Title of publication: Conformational Polymorphism of Lithium Pinacolone Enolate.
• Authors of publication: Guang, Jie; Liu, Qiyong; Hopson, Russell; Kagan, Gerald; Li, Weibin; Monroe, Thomas B.; Williard, Paul G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15177 - 15188
• a: 10.3259 ± 0.0014 Å
• b: 10.7672 ± 0.0014 Å
• c: 10.8895 ± 0.0015 Å
• α: 102.936 ± 0.003°
• β: 115.2 ± 0.003°
• γ: 99.243 ± 0.003°
• Cell volume: 1021.7 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198.21 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0574
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No