Information card for entry 4100112

Structure parameters

• Formula: C22 H35 N O3
• Calculated formula: C22 H35 N O3
• SMILES: O(C(=O)N[C@H](C(=C/[C@H](Cc1ccccc1)CO)/C)CC(C)C)C(C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.6718 ± 0.0014 Å
• b: 12.839 ± 0.003 Å
• c: 26.802 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.8 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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