Information card for entry 2223577

Structure parameters

• Chemical name: Guanidinium 3-carboxy-2,3-dihydroxypropanoate monohydrate
• Formula: C5 H13 N3 O7
• Calculated formula: C5 H13 N3 O7
• Title of publication: Guanidinium 3-carboxy-2,3-dihydroxypropanoate monohydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2508 - o2509
• a: 7.4588 ± 0.0001 Å
• b: 8.0931 ± 0.0001 Å
• c: 8.6423 ± 0.0001 Å
• α: 72.415 ± 0.001°
• β: 71.62 ± 0.001°
• γ: 81.558 ± 0.001°
• Cell volume: 471.176 ± 0.011 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes