Information card for entry 2013887

Structure parameters

• Formula: C14 H23 N O4
• Calculated formula: C14 H23 N O4
• SMILES: N1(C(=O)C=C(O)C[C@@H]1CC(C)C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate
• Authors of publication: Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o200 - o203
• a: 14.667 ± 0.0003 Å
• b: 34.0857 ± 0.0008 Å
• c: 6.3334 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3166.29 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes