Information card for entry 4509847

Structure parameters

• Formula: C19 H22 Cl F N2 O
• Calculated formula: C19 H22 Cl F N2 O
• SMILES: Clc1cc2c(nc3CC(CC(=O)c3c2NC(C)(C)C)(C)C)c(F)c1
• Title of publication: Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives
• Authors of publication: Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 49
• a: 9.508 ± 0.002 Å
• b: 9.679 ± 0.003 Å
• c: 10.314 ± 0.003 Å
• α: 82.54 ± 0.03°
• β: 74.65 ± 0.02°
• γ: 73.17 ± 0.02°
• Cell volume: 874.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No