Information card for entry 2211521

Structure parameters

• Chemical name: Ethyldimethylammonium oxalate
• Formula: C6 H13 N O4
• Calculated formula: C6 H13 N O4
• SMILES: [NH+](CC)(C)C.C(=O)(C(=O)[O-])O
• Title of publication: Ethyldimethylammonium oxalate
• Authors of publication: Ejsmont, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5852 - o5854
• a: 5.5953 ± 0.0007 Å
• b: 9.3979 ± 0.0009 Å
• c: 15.804 ± 0.002 Å
• α: 90°
• β: 92.158 ± 0.009°
• γ: 90°
• Cell volume: 830.45 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes