Information card for entry 4029865

Structure parameters

• Formula: C23 H16 Br N O2
• Calculated formula: C23 H16 Br N O2
• SMILES: Brc1ccc(c2c3ccccc3n(c(=O)c2C(=O)c2ccccc2)C)cc1
• Title of publication: Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.
• Authors of publication: Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 8094 - 8102
• a: 10.3678 ± 0.0004 Å
• b: 9.9254 ± 0.0003 Å
• c: 18.351 ± 0.0006 Å
• α: 90°
• β: 104.086 ± 0.004°
• γ: 90°
• Cell volume: 1831.62 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No