Information card for entry 8101412

Structure parameters

• Formula: C7 H13 N O9 S
• Calculated formula: C7 H12 N O9 S
• SMILES: SC[C@H]([NH3+])C(=O)O.OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].O
• Title of publication: Crystal structure of L-cysteine L-tartarte monohydrate, C~7~H~15~NO~9~S
• Authors of publication: Shan, Yongkui; Huang, Songping D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 41 - 42
• a: 7.9152 ± 0.0008 Å
• b: 7.7166 ± 0.0006 Å
• c: 10.4111 ± 0.0009 Å
• α: 90°
• β: 111°
• γ: 90°
• Cell volume: 591.68 ± 0.08 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0591
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No