Information card for entry 2203419

Structure parameters

• Formula: C16 H31 N O6
• Calculated formula: C16 H31 N O6
• SMILES: O=C(OC(C)(C)C)[C@H](O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)C.O=C(OC(C)(C)C)[C@@H](O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(C)C
• Title of publication: (2S<i>R</i>,3S<i>R</i>,4<i>RS</i>)-<i>tert</i>-Butyl 2,3-dihydroxy 4-(<i>tert</i>-butoxycarbonyl)aminohexanoate
• Authors of publication: Dagoneau Christelle; Jean-Noël Denis; Christian Philouze; Marie-Thérèse Averbuch-Pouchot; Yannick Vallée
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o510 - o512
• a: 9.077 ± 0.004 Å
• b: 21.777 ± 0.005 Å
• c: 10.19 ± 0.01 Å
• α: 90°
• β: 107.02 ± 0.06°
• γ: 90°
• Cell volume: 1926 ± 2 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections: 1.686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.686
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes