Information card for entry 4088284

Structure parameters

• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: C(=O)(c1cnn2c1cccc2c1ccccc1)OC
• Title of publication: Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors
• Authors of publication: Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 288
• a: 3.8617 ± 0.0002 Å
• b: 14.2043 ± 0.0009 Å
• c: 11.0554 ± 0.0007 Å
• α: 90°
• β: 95.734 ± 0.003°
• γ: 90°
• Cell volume: 603.38 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No