Information card for entry 7226274

Structure parameters

• Formula: C25 H21 N3 O2
• Calculated formula: C24 H20 N4 O2
• SMILES: c1ccccc1/C=C/COc1ccccc1C(=O)Nc1ccccc1n1ccnn1
• Title of publication: Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group
• Authors of publication: J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.6084 ± 0.001 Å
• b: 11.1938 ± 0.0017 Å
• c: 19.649 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2113.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No