Information card for entry 4020288

Structure parameters

• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: O=C1OC(=C)[C@@H]2CC[C@H]3C[C@H](N1[C@@H]23)C(=O)OC
• Authors of publication: Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5070 - 5085
• a: 6.6205 ± 0.0017 Å
• b: 10.695 ± 0.005 Å
• c: 16.226 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1148.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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