Information card for entry 8101520

Structure parameters

• Formula: C11 H13 N O6 S
• Calculated formula: C11 H13 N O6 S
• SMILES: S(=O)(=O)(N[C@H](CCC(=O)O)C(=O)O)c1ccccc1
• Title of publication: Crystal structure of R-(-)-N-benzenesulphonylglutamic acid, C~11~H~13~NO~6~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: 3
• Pages of publication: 379 - 380
• a: 5.0321 ± 0.0003 Å
• b: 14.8258 ± 0.0009 Å
• c: 17.427 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.1 ± 0.1 ų
• Cell temperature: 296.7 K
• Ambient diffraction temperature: 296 ± 1 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 significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0411
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No