Information card for entry 4100218

Structure parameters

• Formula: C20 H30 N2 O3 S
• Calculated formula: C20 H30 N2 O3 S
• SMILES: [nH]1c(cc2ccccc12)[C@@H]([C@@H](NS(=O)C(C)(C)C)C(=O)OCC)CCC.[nH]1c(cc2ccccc12)[C@H]([C@H](NS(=O)C(C)(C)C)C(=O)OCC)CCC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.203 ± 0.0002 Å
• b: 13.3349 ± 0.0002 Å
• c: 14.7243 ± 0.0003 Å
• α: 95.661 ± 0.001°
• β: 96.933 ± 0.001°
• γ: 103.407 ± 0.001°
• Cell volume: 2105.74 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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