Information card for entry 2016644

Structure parameters

• Common name: L-cysteinium hemioxalate
• Chemical name: L-Cysteinium hemioxalate
• Formula: C5 H9 N O6 S
• Calculated formula: C5 H9 N O6 S
• SMILES: [NH3+][C@H](C(=O)O)CS.C(=O)(C(=O)O)[O-]
• Title of publication: <small>L</small>-Cysteinium semioxalate
• Authors of publication: Minkov, Vasil S.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o344 - o348
• a: 7.0529 ± 0.0011 Å
• b: 10.2407 ± 0.0012 Å
• c: 12.1199 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 875.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes