Information card for entry 4085521

Structure parameters

• Formula: C18 H12 N2 O4
• Calculated formula: C18 H12 N2 O4
• SMILES: c1(ccc(cc1)C(=O)c1ccccc1Oc1ccccn1)N(=O)=O
• 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: 6.0929 ± 0.001 Å
• b: 15.534 ± 0.003 Å
• c: 16.056 ± 0.003 Å
• α: 90°
• β: 99.965 ± 0.003°
• γ: 90°
• Cell volume: 1496.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No