Information card for entry 2009111

Structure parameters

• Chemical name: 2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine
• Formula: C17 H16 N2 O5
• Calculated formula: C17 H16 N2 O5
• SMILES: O1N([C@@H](C[C@@H]1OC(=O)C)c1ccc(N(=O)=O)cc1)c1ccccc1.O1N([C@H](C[C@H]1OC(=O)C)c1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: 5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine
• Authors of publication: Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1829 - 1831
• a: 17.9115 ± 0.0013 Å
• b: 11.6279 ± 0.0013 Å
• c: 7.701 ± 0.0007 Å
• α: 90°
• β: 95.842 ± 0.003°
• γ: 90°
• Cell volume: 1595.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No