Information card for entry 2229401

Structure parameters

• Chemical name: <i>tert</i>-Butyl 2-hydroxy-3-(4-methylbenzenesulfonamido)butanoate
• Formula: C15 H23 N O5 S
• Calculated formula: C15 H23 N O5 S
• SMILES: CC(C)(C)OC(=O)[C@H]([C@@H](C)NS(=O)(=O)c1ccc(cc1)C)O.CC(C)(C)OC(=O)[C@@H]([C@H](C)NS(=O)(=O)c1ccc(cc1)C)O
• Title of publication: <i>tert</i>-Butyl 2-hydroxy-3-(4-methylbenzenesulfonamido)butanoate
• Authors of publication: Fadlalla, Mohamed I.; Friedrich, Holger B.; Maguire, Glenn E. M.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o648
• a: 9.6038 ± 0.0008 Å
• b: 9.9059 ± 0.0008 Å
• c: 10.1064 ± 0.0011 Å
• α: 119.342 ± 0.002°
• β: 92.307 ± 0.002°
• γ: 93.422 ± 0.002°
• Cell volume: 833.95 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes