Information card for entry 4021378

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O=c1c(N)c([nH]c2c1cccc2)c1ccccc1
• Title of publication: Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides
• Authors of publication: Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 819 - 822
• a: 15.8732 ± 0.0003 Å
• b: 13.5038 ± 0.0003 Å
• c: 16.9982 ± 0.0003 Å
• α: 90°
• β: 99.468 ± 0.002°
• γ: 90°
• Cell volume: 3593.9 ± 0.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No