Information card for entry 4020390

Structure parameters

• Formula: C17 H26 N2 O5 S
• Calculated formula: C17 H26 N2 O5 S
• SMILES: S1C[C@@H](N2C(=O)[C@]3(N(CCCC3)C(=O)OC(C)(C)C)C[C@@H]12)C(=O)OC
• Authors of publication: Ravindranadh V. Somu; Rodney L. Johnson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5954 - 5963
• a: 10.7925 ± 0.0016 Å
• b: 11.2104 ± 0.0017 Å
• c: 15.047 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1820.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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