Information card for entry 2223476

Structure parameters

• Common name: [(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-dihydroxy-5- (hydroxymethyl)proline]
• Chemical name: (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-Dihydroxy-5- (hydroxymethyl)pyrrolidine-2-carboxylic acid
• Formula: C6 H11 N O5
• Calculated formula: C6 H11 N O5
• SMILES: O=C([O-])[C@H]1[NH2+][C@H](CO)[C@H]([C@@H]1O)O
• Title of publication: (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid [(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-dihydroxy-5-(hydroxymethyl)proline]
• Authors of publication: Best, Daniel; Jenkinson, Sarah F.; Thompson, Amber L.; Watkin, David J.; Wilson, Francis X.; Nash, Robert J.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2418 - o2419
• a: 5.416 ± 0.0002 Å
• b: 5.8236 ± 0.0003 Å
• c: 6.6006 ± 0.0003 Å
• α: 102.836 ± 0.002°
• β: 104.776 ± 0.002°
• γ: 102.824 ± 0.0019°
• Cell volume: 187.504 ± 0.015 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes