Information card for entry 4100575

Structure parameters

• Formula: C16 H21 N O3
• Calculated formula: C16 H21 N O3
• SMILES: C1(=O)N(c2c([C@H]1C)cc(cc2)C)[C@@H](C(C)C)C(=O)OC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.5886 ± 0.0008 Å
• b: 18.9715 ± 0.0013 Å
• c: 7.2785 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.2 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No