Information card for entry 7208454

Structure parameters

• Common name: DL-cysteinium oxalate
• Formula: C4 H8 N O4 S
• Calculated formula: C4 H8 N O4 S
• Title of publication: Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains
• Authors of publication: Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5943
• a: 5.2563 ± 0.0003 Å
• b: 6.598 ± 0.0003 Å
• c: 10.3562 ± 0.0004 Å
• α: 87.226 ± 0.004°
• β: 76.973 ± 0.004°
• γ: 70.438 ± 0.005°
• Cell volume: 329.58 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No