Information card for entry 4104867

Structure parameters

• Formula: C24 H36 Li N3 O
• Calculated formula: C24 H36 Li N3 O
• Title of publication: Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone, Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate Complexes
• Authors of publication: Kristopher J. Kolonko; Margaret M. Biddle; Ilia A. Guzei; Hans J. Reich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11525 - 11534
• a: 17.9816 ± 0.0013 Å
• b: 14.5976 ± 0.0011 Å
• c: 18.1807 ± 0.0013 Å
• α: 90°
• β: 104.052 ± 0.001°
• γ: 90°
• Cell volume: 4629.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No