Information card for entry 7226273

Structure parameters

• Formula: C17 H14 N4 O4
• Calculated formula: C17 H14 N4 O4
• SMILES: c1cccc(c1NC(=O)c1c(cc(cc1)N(=O)=O)OC)n1cccn1
• 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: 12.098 ± 0.002 Å
• b: 8.3128 ± 0.0011 Å
• c: 31.328 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3150.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No