Information card for entry 4023203

Structure parameters

• Formula: C19 H23 N O8
• Calculated formula: C19 H23 N O8
• SMILES: N1(C(COC(=O)C)(COC(=O)C)CO[C@@H]1c1ccccc1OC(=O)C)C(=O)C
• Title of publication: Chiral N-Acyloxazolidines: Synthesis, Structure, and Mechanistic Insights
• Authors of publication: Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios; Esther M. S. Pérez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 661 - 672
• a: 7.9972 ± 0.0012 Å
• b: 9.8137 ± 0.0017 Å
• c: 24.997 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1961.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No