Information card for entry 4101170

Structure parameters

• Formula: C22 H25 N O5 S
• Calculated formula: C22 H25 N O5 S
• SMILES: S(=O)(=O)(N1C=C[C@H](C[C@H]1O[C@H](C)c1ccccc1)C(=O)OCC)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 9.905 ± 0.002 Å
• b: 11.443 ± 0.002 Å
• c: 18.969 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No