Information card for entry 1540377

Structure parameters

• Formula: C17 H28 N2 O6
• Calculated formula: C17 H28 N2 O6
• SMILES: [C@H]1(CCCN1C(=O)OC(C)(C)C)[C@@H]1CC(=O)ON1C(=O)OC(C)(C)C
• 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: 10.375 ± 0.0011 Å
• b: 17.5559 ± 0.0019 Å
• c: 10.8576 ± 0.0012 Å
• α: 90°
• β: 95.023 ± 0.002°
• γ: 90°
• Cell volume: 1970 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No