Information card for entry 2202396

Structure parameters

• Formula: C6 H8 N2 O5
• Calculated formula: C6 H8 N2 O5
• SMILES: OC(C(=O)O)C(=O)[O-].[nH+]1c[nH]cc1
• Title of publication: Imidazolium hydrogen tartronate
• Authors of publication: Takeo Fukunaga; Hiroyuki Ishida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1869 - o1871
• a: 8.5516 ± 0.0015 Å
• b: 10.2077 ± 0.0017 Å
• c: 9.392 ± 0.003 Å
• α: 90°
• β: 91.64 ± 0.02°
• γ: 90°
• Cell volume: 819.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes