Information card for entry 2010020

Structure parameters

• Formula: C8 H9 N O4
• Calculated formula: C8 H9 N O4
• Title of publication: 1-Carboxymethyl-3-hydroxy-2-methyl-4(1<i>H</i>)-pyridinone (monoclinic form 2)
• Authors of publication: Orvig, C.; Rettig, S.J.; Zhang, Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1511 - 1514
• a: 8.38 ± 0.001 Å
• b: 10.474 ± 0.004 Å
• c: 9.554 ± 0.002 Å
• α: 90°
• β: 102.78 ± 0.01°
• γ: 90°
• Cell volume: 817.8 ± 0.4 ų
• Cell temperature: 294 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 significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 2.85
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No