Information card for entry 4100238

Structure parameters

• Formula: C41 H46 N2 O7 S
• Calculated formula: C41 H46 N2 O7 S
• SMILES: N12C(=O)CN([C@@H]([C@@H]1Cc1c(c(c(c(c1[C@@H]2COCc1ccccc1)OCc1ccccc1)OC)C)OC)Sc1ccccc1)C(=O)OC(C)(C)C.N12C(=O)CN([C@H]([C@H]1Cc1c(c(c(c(c1[C@H]2COCc1ccccc1)OCc1ccccc1)OC)C)OC)Sc1ccccc1)C(=O)OC(C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 17.3357 ± 0.0003 Å
• b: 18.3236 ± 0.0004 Å
• c: 11.5161 ± 0.0005 Å
• α: 90°
• β: 92.498 ± 0.0013°
• γ: 90°
• Cell volume: 3654.64 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No