Information card for entry 2009193

Structure parameters

• Common name: DL-cysteine
• Formula: C3 H7 N O2 S
• Calculated formula: C3 H7 N O2 S
• SMILES: C(=O)([O-])C([NH3+])CS
• Title of publication: <small>DL</small>-Cysteine at 298K
• Authors of publication: Luger, Peter; Weber, Manuela
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1882 - 1885
• a: 9.877 ± 0.001 Å
• b: 4.737 ± 0.001 Å
• c: 12.877 ± 0.001 Å
• α: 90°
• β: 112.044 ± 0.002°
• γ: 90°
• Cell volume: 558.44 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes