Information card for entry 4101128

Structure parameters

• Formula: C12 H13 N O5
• Calculated formula: C12 H13 N O5
• SMILES: OC(=O)/C(=C(OCC)\c1ccc(N(=O)=O)cc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 13.5842 ± 0.0007 Å
• b: 11.6824 ± 0.0006 Å
• c: 7.5787 ± 0.0003 Å
• α: 90°
• β: 94.8997 ± 0.0014°
• γ: 90°
• Cell volume: 1198.31 ± 0.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No