Information card for entry 4020581

Structure parameters

• Common name: 9d
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: o1c(ccc1)C(=O)ON=C1CCCCC1
• Title of publication: α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles
• Authors of publication: Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9211 - 9214
• a: 18.052 ± 0.003 Å
• b: 5.7905 ± 0.0009 Å
• c: 10.1108 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1056.9 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No