Information card for entry 2001830

Structure parameters

• Chemical name: (2S,3R)-2-amino-3-hydroxyl-3-(1,2:3,4-di-o-isopropylidène- α-D-galactopyranos-5-yl) propanoate de méthyle
• Formula: C15 H25 N O8
• Calculated formula: C15 H25 N O8
• SMILES: COC(=O)[C@H]([C@H]([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)O)N
• Title of publication: Structure du (2<i>S</i>,6'<i>R</i>)-2-amino-2-(1,2:3,4-di-<i>O</i>-isopropylidène-α-<small>D</small>-galactopyranos-6-yl)acétate de méthyle
• Authors of publication: Chiaroni, A.; Riche, C.; El Hadrami, E. M.; Lavergne, J.-P.; Viallefont, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 828 - 830
• a: 5.648 ± 0.002 Å
• b: 26.369 ± 0.008 Å
• c: 11.868 ± 0.004 Å
• α: 90°
• β: 90.19 ± 0.02°
• γ: 90°
• Cell volume: 1767.5 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.038
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 0.98
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No