Information card for entry 4022247

Structure parameters

• Common name: N-acylated-3-hydroxylated piperidin-2-one
• Chemical name: di(tert-butyl)-(2S,5R)-5-hydroxy-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate
• Formula: C15 H25 N O6
• Calculated formula: C15 H25 N O6
• SMILES: C(C)(C)(C)OC(=O)N1[C@H](C(=O)OC(C)(C)C)CC[C@H](C1=O)O
• Title of publication: Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids
• Authors of publication: J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 8440 - 8449
• a: 8.616 ± 0.0002 Å
• b: 11.688 ± 0.0003 Å
• c: 17.157 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.78 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No