Information card for entry 2223360

Structure parameters

• Chemical name: (<i>RS</i>/<i>SR</i>)-2-Oxo-4-phenylazetidin-3-yl acetate
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: c1ccccc1[C@@H]1[C@@H](C(=O)N1)OC(=O)C
• Title of publication: (<i>RS</i>/<i>SR</i>)-2-Oxo-4-phenylazetidin-3-yl acetate
• Authors of publication: Li, Yangjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2590
• a: 5.94 ± 0.004 Å
• b: 8.198 ± 0.004 Å
• c: 20.896 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1017.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes