Information card for entry 2011778

Structure parameters

• Common name: betaine-betainium hydrogen oxalate
• Chemical name: N,N,N-trimethylglycine-N,N,N-trimethylglycinium-hydrogenoxalate
• Formula: C12 H24 N2 O8
• Calculated formula: C12 H24 N2 O8
• SMILES: OC(=O)C(=O)[O-].[O-]C(=O)C[N+](C)(C)C.OC(=O)C[N+](C)(C)C
• Title of publication: Betaine betainium hydrogen oxalate
• Authors of publication: Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 213 - 215
• a: 11.7729 ± 0.0007 Å
• b: 5.5841 ± 0.0004 Å
• c: 24.549 ± 0.003 Å
• α: 90°
• β: 97.52 ± 0.007°
• γ: 90°
• Cell volume: 1600 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes