Information card for entry 4100430

Structure parameters

• Formula: C43 H87 N11 O25
• Calculated formula: C43 H81 N11 O22
• SMILES: O=C1NCCC[N+]2(CCCNC(=O)c3nc(C(=O)NCCC[N+](CCCNC(=O)c4nc1ccc4)(CCCNC(=O)c1nc(C(=O)NCCC2)ccc1)C)ccc3)C.O=C([O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.235 ± 0.004 Å
• b: 13.829 ± 0.004 Å
• c: 17.234 ± 0.005 Å
• α: 79.429 ± 0.006°
• β: 85.435 ± 0.006°
• γ: 68.223 ± 0.005°
• Cell volume: 2879.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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