Information card for entry 4101173

Structure parameters

• Formula: C20 H25 N O7 S
• Calculated formula: C20 H25 N O7 S
• SMILES: S(=O)(=O)(N1C=C[C@H](C[C@H]1O[C@@H]1C(COC1=O)(C)C)C(=O)OCC)c1ccccc1.S(=O)(=O)(N1C=C[C@@H](C[C@@H]1O[C@H]1C(COC1=O)(C)C)C(=O)OCC)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 8.0643 ± 0.0012 Å
• b: 9.0916 ± 0.0013 Å
• c: 16.245 ± 0.002 Å
• α: 74.529 ± 0.002°
• β: 85.901 ± 0.002°
• γ: 66.559 ± 0.002°
• Cell volume: 1052.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No