Information card for entry 2221388

Structure parameters

• Chemical name: Dimethyl <i>cis</i>-2-methyl-3-<i>p</i>-tolylisoxazolidine-4,5-dicarboxylate
• Formula: C15 H19 N O5
• Calculated formula: C15 H19 N O5
• SMILES: O1N([C@@H](c2ccc(cc2)C)[C@H]([C@H]1C(=O)OC)C(=O)OC)C.O1N([C@H](c2ccc(cc2)C)[C@@H]([C@@H]1C(=O)OC)C(=O)OC)C
• Title of publication: Dimethyl <i>cis</i>-2-methyl-3-<i>p</i>-tolylisoxazolidine-4,5-dicarboxylate
• Authors of publication: Odabaşoğlu, Mustafa; Özkan, Hamdi; Yıldırır, Yılmaz; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o806 - o807
• a: 15.3832 ± 0.0007 Å
• b: 19.7959 ± 0.0008 Å
• c: 9.9612 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3033.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes