Information card for entry 4100254

Structure parameters

• Formula: C33 H42 N2 O8
• Calculated formula: C33 H42 N2 O8
• SMILES: O(c1c(c(OC)c(O)c2[C@H]3N([C@@H](Cc12)C(=O)N1[C@@H]3Cc2c([C@@H]1COCC=C)c(OCC=C)c(OC)c(c2OC)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.013 ± 0.009 Å
• b: 8.448 ± 0.006 Å
• c: 15.988 ± 0.012 Å
• α: 90°
• β: 104.015 ± 0.013°
• γ: 90°
• Cell volume: 1574.3 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No