Information card for entry 2008134

Structure parameters

• Formula: C6 H10 N2 O4
• Calculated formula: C6 H10 N2 O4
• Title of publication: (<i>S</i>)-2-Hydroxy-3-(1<i>H</i>-imidazol-5-yl)propanoic acid hydrate
• Authors of publication: Okabe, Nobuo; Adachi, Yukari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 217 - 218
• a: 7.756 ± 0.006 Å
• b: 17.107 ± 0.002 Å
• c: 6.09 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808 ± 0.7 ų
• Cell temperature: 296 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 significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.107
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No