Information card for entry 4020391

Structure parameters

• Formula: C21 H32 N4 O5 S
• Calculated formula: C21 H32 N4 O5 S
• SMILES: S1[C@H]2N([C@H](C1)C(=O)N)C(=O)[C@]1(N(CCCC1)C(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C)C2
• 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: 9.8902 ± 0.0013 Å
• b: 10.0941 ± 0.0013 Å
• c: 23.188 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2314.9 ± 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