Information card for entry 4020232

Structure parameters

• Formula: C16 H17 N O4
• Calculated formula: C16 H17 N O4
• SMILES: N1=C(OC)C(=C(C(=O)C1(C)C)C(=O)OC)c1ccccc1
• Authors of publication: Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4971 - 4979
• a: 15.528 ± 0.003 Å
• b: 18.993 ± 0.004 Å
• c: 10.971 ± 0.002 Å
• α: 74.7 ± 0.02°
• β: 86.06 ± 0.02°
• γ: 82.38 ± 0.02°
• Cell volume: 3091.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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