Information card for entry 2230552

Structure parameters

• Common name: 7,9-bis(hydroxymethyl)-uric acid
• Chemical name: 7,9-Bis(hydroxymethyl)-7<i>H</i>-purine- 2,6,8(1<i>H</i>,3<i>H</i>,9<i>H</i>)trione
• Formula: C7 H8 N4 O5
• Calculated formula: C7 H8 N4 O5
• Title of publication: 7,9-Bis(hydroxymethyl)-7<i>H</i>-purine-2,6,8(1<i>H</i>,3<i>H</i>,9<i>H</i>)trione
• Authors of publication: Daudon, M.; Bazin, D.; Adil, K.; Bail, A. Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1458
• a: 5.3226 ± 0.0006 Å
• b: 11.5541 ± 0.0013 Å
• c: 14.5931 ± 0.0018 Å
• α: 90°
• β: 97.34 ± 0.007°
• γ: 90°
• Cell volume: 890.09 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes