Information card for entry 2017682

Structure parameters

• Chemical name: diglycinium oxalate methanol disolvate
• Formula: C8 H20 N2 O10
• Calculated formula: C8 H20 N2 O10
• SMILES: C([NH3+])C(=O)O.C(=O)([O-])C(=O)[O-].CO.C(=O)(C[NH3+])O.CO
• 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: 5.0068 ± 0.0007 Å
• b: 11.3293 ± 0.0015 Å
• c: 12.893 ± 0.002 Å
• α: 90°
• β: 106.077 ± 0.012°
• γ: 90°
• Cell volume: 702.73 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes