Information card for entry 2211718

Structure parameters

• Chemical name: (4S)-4-Benzyl-4-hydroxyisoxazolidin-3-one
• Formula: C10 H11 N O3
• Calculated formula: C10 H11 N O3
• SMILES: N1OCC(O)(C1=O)Cc1ccccc1
• Title of publication: (4<i>SR</i>)-4-Benzyl-4-hydroxyisoxazolidin-3-one
• Authors of publication: Gao, Hao; Sun, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o146 - o147
• a: 7.8287 ± 0.0008 Å
• b: 7.8026 ± 0.0008 Å
• c: 30.6427 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1871.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes