Information card for entry 4100375

Structure parameters

• Formula: C53 H81 Cl3 N8 O11
• Calculated formula: C53 H81 Cl3 N8 O11
• SMILES: ClC(Cl)Cl.O(C(C)(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccccc1
• Authors of publication: Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.603 ± 0.002 Å
• b: 19.515 ± 0.004 Å
• c: 27.927 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5779 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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