Information card for entry 4028764

Structure parameters

• Formula: C19 H16 F N O2
• Calculated formula: C19 H16 F N O2
• SMILES: O(C)C(=O)C1=CN(c2ccc(cc2)F)C=CC1c1ccccc1
• Title of publication: Palladium-Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)-Enamines
• Authors of publication: Xiaochen Ji; Huawen Huang; Wanqing Wu; Xianwei Li; Huanfeng Jiang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 11155 - 11162
• a: 12.152 ± 0.002 Å
• b: 7.7729 ± 0.0016 Å
• c: 16.896 ± 0.003 Å
• α: 90°
• β: 98.87 ± 0.03°
• γ: 90°
• Cell volume: 1576.8 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No