Information card for entry 2013888

Structure parameters

• Formula: C14 H25 N O4
• Calculated formula: C14 H25 N O4
• SMILES: N1(C(=O)C[C@H](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: 5.563 ± 0.002 Å
• b: 9.891 ± 0.003 Å
• c: 14.8 ± 0.003 Å
• α: 90°
• β: 95.02 ± 0.02°
• γ: 90°
• Cell volume: 811.2 ± 0.4 ų
• Cell temperature: 293 ± 2 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes