Information card for entry 4101231

Structure parameters

• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: O(CC/C=C\C1[C@H]2[C@@H]3CC[C@H]([C@@H]12)C3)C(=O)c1ccc(N(=O)=O)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 6.3238 ± 0.0009 Å
• b: 7.478 ± 0.001 Å
• c: 17.941 ± 0.002 Å
• α: 94.542 ± 0.008°
• β: 93.456 ± 0.007°
• γ: 90.805 ± 0.006°
• Cell volume: 844.1 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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