Information card for entry 7051125

Structure parameters

• Formula: C18 H16 N O P
• Calculated formula: C18 H16 N O P
• SMILES: P(n1cccc1C(=O)C)(c1ccccc1)c1ccccc1
• Authors of publication: Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 9.501 ± 0.003 Å
• b: 16.156 ± 0.003 Å
• c: 11.009 ± 0.003 Å
• α: 90°
• β: 112.91 ± 0.02°
• γ: 90°
• Cell volume: 1556.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No