Information card for entry 4085522

Structure parameters

• Formula: C25 H17 N O3
• Calculated formula: C25 H17 N O3
• SMILES: c1(ccccn1)Oc1c(C(=O)c2ccccc2)cccc1C(=O)c1ccccc1
• Title of publication: Palladium-Catalyzed Direct Ortho Aroylation of 2-Phenoxypyridines with Aldehydes and Catalytic Mechanism Investigation
• Authors of publication: Chu, Jean-Ho; Chen, Shih-Tien; Chiang, Meng-Fan; Wu, Ming-Jung
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 953
• a: 7.951 ± 0.013 Å
• b: 10.803 ± 0.017 Å
• c: 11.374 ± 0.018 Å
• α: 92.96 ± 0.03°
• β: 100.55 ± 0.02°
• γ: 98.42 ± 0.02°
• Cell volume: 947 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No