Information card for entry 4100113

Structure parameters

• Formula: C80 H104 F6 N10 O15
• Calculated formula: C80 H104 F6 N10 O15
• SMILES: C1(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=C[C@@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=C[C@@H]1Cc1ccccc1)C(F)(F)F)CC(C)C)CCCNC(=O)OCc1ccccc1)C(C)C)CCC3)Cc1ccccc1)C(F)(F)F)CC(C)C)CCCNC(=O)OCc1ccccc1)C(C)C)CCC2.O.O.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.639 ± 0.0009 Å
• b: 23.908 ± 0.002 Å
• c: 38.807 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8943.3 ± 1.4 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