Information card for entry 7715145

Structure parameters

• Formula: C22 H17 Na O
• Calculated formula: C22 H17 Na O
• 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: 12.3035 ± 0.0003 Å
• b: 13.3928 ± 0.0003 Å
• c: 17.4184 ± 0.0004 Å
• α: 81.86 ± 0.002°
• β: 85.94 ± 0.002°
• γ: 63.004 ± 0.002°
• Cell volume: 2531.6 ± 0.11 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No