Information card for entry 7051489

Structure parameters

• Formula: C12 H14 N2 O4
• Calculated formula: C12 H14 N2 O4
• SMILES: O=C(C(=N/Nc1ccccc1OC)\C(=O)OC)C
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 12.72 ± 0.002 Å
• b: 6.954 ± 0.001 Å
• c: 14.783 ± 0.003 Å
• α: 90°
• β: 111.61 ± 0.01°
• γ: 90°
• Cell volume: 1215.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No