Information card for entry 2200449

Structure parameters

• Chemical name: DL-threoninium oxalate
• Formula: C6 H11 N O7
• Calculated formula: C6 H11 N O7
• SMILES: O=C(O)[C@H]([NH3+])[C@@H](O)C.OC(=O)C(=O)[O-].O=C(O)[C@@H]([NH3+])[C@H](O)C.OC(=O)C(=O)[O-]
• Title of publication: <small>DL</small>-Threoninium oxalate
• Authors of publication: M.Subha Nandhini; R.V. Krishnakumar; R. Malathi; S.S. Rajan; S.Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o769 - o771
• a: 8.325 ± 0.005 Å
• b: 10.957 ± 0.004 Å
• c: 10.363 ± 0.004 Å
• α: 90°
• β: 112.39 ± 0.05°
• γ: 90°
• Cell volume: 874 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No