Information card for entry 4101012

Structure parameters

• Formula: C18 H16 N2 O5
• Calculated formula: C18 H16 N2 O5
• SMILES: O=C(OCC)C1=C(C(=C2C=CC(=CC=C12)N=[C])C(=O)OCC)NC=O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 8.36 ± 0.002 Å
• b: 9.532 ± 0.002 Å
• c: 11.001 ± 0.002 Å
• α: 102.004 ± 0.004°
• β: 94.342 ± 0.004°
• γ: 101.493 ± 0.004°
• Cell volume: 834 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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