Information card for entry 2242955

Structure parameters

• Common name: Zymonic acid
• Chemical name: 4-Hydroxy-2-methyl-5-oxo-2,5-dihydrofuran-2-carboxylic acid
• Formula: C6 H6 O5
• Calculated formula: C6 H6 O5
• Title of publication: Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid
• Authors of publication: Heger, Dominik; Eugene, Alexis J.; Parkin, Sean R.; Guzman, Marcelo I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 858 - 862
• a: 24.145 ± 0.003 Å
• b: 6.6523 ± 0.0007 Å
• c: 8.6201 ± 0.0007 Å
• α: 90°
• β: 95.169 ± 0.004°
• γ: 90°
• Cell volume: 1378.9 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes