Information card for entry 4100237

Structure parameters

• Formula: C28 H33 N O5
• Calculated formula: C28 H33 N O5
• SMILES: N1[C@H](c2c(c(c(c(c2C[C@H]1CO)OC)C)OC)OCc1ccccc1)COCc1ccccc1.N1[C@@H](c2c(c(c(c(c2C[C@@H]1CO)OC)C)OC)OCc1ccccc1)COCc1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.3397 ± 0.0002 Å
• b: 11.4953 ± 0.0003 Å
• c: 12.0017 ± 0.0003 Å
• α: 79.242 ± 0.002°
• β: 83.47 ± 0.002°
• γ: 80.402 ± 0.002°
• Cell volume: 1243.62 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No