Information card for entry 1540375

Structure parameters

• Formula: C13 H21 N O6
• Calculated formula: C13 H21 N O6
• SMILES: CC(C)(C)OC(=O)N1[C@H](CC(=O)O1)[C@H]1COC(C)(C)O1
• Title of publication: Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.
• Authors of publication: Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5408 - 5411
• a: 6.282 ± 0.002 Å
• b: 9.924 ± 0.004 Å
• c: 24.859 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1549.8 ± 1 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: 0.1392
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No