Information card for entry 2211890

Structure parameters

• Common name: (6S)-Methyl-L-swainsonine
• Chemical name: (1R,2S,6S,8S,8aS)-6-methyloctahydroindolizine-1,2,8-triol
• Formula: C9 H17 N O3
• Calculated formula: C9 H17 N O3
• SMILES: [C@@H]12N(C[C@@H]([C@@H]1O)O)C[C@H](C[C@@H]2O)C
• Title of publication: (6<i>S</i>)-Methyl-<small>L</small>-swainsonine [(1<i>R</i>,2<i>S</i>,6<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-methyloctahydroindolizine-1,2,8-triol]
• Authors of publication: Håkansson, Anders E.; Horne, Graeme; Fleet, George W.J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o210 - o212
• a: 11.4494 ± 0.0006 Å
• b: 11.4494 ± 0.0006 Å
• c: 6.1727 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 700.76 ± 0.06 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes