Information card for entry 7715144

Structure parameters

• Formula: C63 H90 Li2 N8 O2
• Calculated formula: C63 H90 Li2 N8 O2
• Title of publication: Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.
• Authors of publication: Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4719 - 4728
• a: 12.4692 ± 0.0002 Å
• b: 17.6687 ± 0.0004 Å
• c: 13.5637 ± 0.0002 Å
• α: 90°
• β: 95.153 ± 0.002°
• γ: 90°
• Cell volume: 2976.2 ± 0.09 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0502
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No