Information card for entry 7154274

Structure parameters

• Chemical name: (R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O=C(C)[C@H](CC)C(=O)N1C(=O)OC[C@H]1c1ccccc1
• Title of publication: Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.
• Authors of publication: Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2546 - 2549
• a: 6.046 ± 0.006 Å
• b: 10.17 ± 0.02 Å
• c: 24.25 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1491 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No