Information card for entry 2236607

Structure parameters

• Chemical name: 3-<i>tert</i>-Butyl 5-methyl (2<i>R</i>,4<i>S</i>,5<i>R</i>)- 2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate
• Formula: C23 H26 N2 O8
• Calculated formula: C23 H26 N2 O8
• SMILES: O1[C@@H](N([C@H]([C@@H]1C(=O)OC)c1cccc(c1)N(=O)=O)C(=O)OC(C)(C)C)c1ccc(cc1)OC
• Title of publication: 3-<i>tert</i>-Butyl 5-methyl (2<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate
• Authors of publication: Montiel-Smith, Sara; Bernès, Sylvain; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Dubois, Joëlle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3146 - o3147
• a: 10.383 ± 0.001 Å
• b: 6.0303 ± 0.0006 Å
• c: 18.7366 ± 0.0017 Å
• α: 90°
• β: 95.591 ± 0.004°
• γ: 90°
• Cell volume: 1167.57 ± 0.19 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.0661
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes