Information card for entry 7715146

Structure parameters

• Formula: C28 H41 N4 Na O
• Calculated formula: C28 H41 N4 Na O
• SMILES: [Na]123(OC(=C)c5c6ccccc6cc6ccccc56)[N](CC[N]1(C)C)(CC[N]2(C)C)CC[N]3(C)C
• 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: 11.3331 ± 0.0005 Å
• b: 12.8913 ± 0.0005 Å
• c: 19.8712 ± 0.0009 Å
• α: 90°
• β: 103.504 ± 0.004°
• γ: 90°
• Cell volume: 2822.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No