Information card for entry 4100535

Structure parameters

• Formula: C50 H70 N8 O12 S4
• Calculated formula: C50 H70 N8 O12 S4
• SMILES: s1c(nc(c1)C(=O)OCC)[C@@]12N[C@@H]([C@@H](C1)[C@@H](N[C@@H]2c1nc(sc1)[C@H]1N(C(O[C@@H]1C)(C)C)C(=O)OC(C)(C)C)c1scc(n1)C(=O)OCC)c1nc(sc1)[C@H]1N(C(O[C@@H]1C)(C)C)C(=O)OC(C)(C)C.O=C(OCC)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.1218 ± 0.0016 Å
• b: 17.502 ± 0.003 Å
• c: 18.76 ± 0.003 Å
• α: 108.138 ± 0.003°
• β: 98.883 ± 0.003°
• γ: 106.553 ± 0.003°
• Cell volume: 2917.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No