Information card for entry 7100800

Structure parameters

• Formula: C41 H44 N2 O6
• Calculated formula: C41 H44 N2 O6
• SMILES: c1(c(ccc2ccccc12)C(=O)[O-])c1c(ccc2ccccc12)C(=O)[O-].c1(ccccc1)[C@@H]([NH3+])[C@@H](c1ccccc1)[NH3+].O[C@@H](C)C(C)C.O
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.5068 ± 0.0006 Å
• b: 18.9504 ± 0.0011 Å
• c: 19.9816 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3599.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No