Information card for entry 4100429

Structure parameters

• Formula: C49 H79 Cl2 N15 O11
• Calculated formula: C45 H73 Cl2 N13 O11
• SMILES: C1CCNC(=O)c2cccc(n2)C(=O)NCCC[N+]2(CCCNC(=O)c3nc(C(=O)NCCC[N+]1(CCCNC(=O)c1cccc(C(=O)NCCC2)n1)C)ccc3)C.C(#N)C.[Cl-].[Cl-].O.O.O.O.C(#N)C.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 25.422 ± 0.011 Å
• b: 20.991 ± 0.009 Å
• c: 11.102 ± 0.004 Å
• α: 90°
• β: 104.961 ± 0.01°
• γ: 90°
• Cell volume: 5724 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No