Information card for entry 4100544

Structure parameters

• Formula: C12 H16 N2 O3
• Calculated formula: C12 H16 N2 O3
• SMILES: N1(C(=O)NC(=O)C(C)=C1)[C@@H]1CC[C@@]2([C@H]1C2)CO
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 5.6585 ± 0.0006 Å
• b: 7.9422 ± 0.0008 Å
• c: 26.129 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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