Information card for entry 2232936

Structure parameters

• Chemical name: 3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid
• Formula: C11 H15 N O6 S
• Calculated formula: C11 H15 N O6 S
• SMILES: S(=O)(=O)(N[C@@H]([C@H](O)C)C(=O)O)c1ccc(OC)cc1
• Title of publication: 3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid
• Authors of publication: Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3275
• a: 5.6505 ± 0.0002 Å
• b: 9.9204 ± 0.0003 Å
• c: 23.0561 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1292.41 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes