Information card for entry 2017681

Structure parameters

• Common name: Glycinium semi-oxalate
• Chemical name: Glycinium semi-oxalate
• Formula: C4 H7 N O6
• Calculated formula: C4 H7 N O6
• SMILES: [NH3+]CC(=O)O.OC(=O)C(=O)[O-]
• Title of publication: Two new structures in the glycine‒oxalic acid system
• Authors of publication: Tumanov, Nikolay A.; Boldyreva, Elena V.; Shikina, Natalia E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o279 - o283
• a: 11.8719 ± 0.0008 Å
• b: 6.1493 ± 0.0002 Å
• c: 20.8247 ± 0.0014 Å
• α: 90°
• β: 121.18 ± 0.005°
• γ: 90°
• Cell volume: 1300.67 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes