Information card for entry 7155417

Structure parameters

• Formula: C26 H22 N2 O3
• Calculated formula: C26 H22 N2 O3
• SMILES: c12ccccc1ccc(CC(C(=O)Nc1cccc(c1)C(=O)C)(c1ccccc1)O)n2
• Title of publication: Zinc-catalyzed chemoselective alkylation of α-keto amides with 2-alkylazaarenes.
• Authors of publication: Muthukumar, Alagesan; Sekar, Govindasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 691 - 700
• a: 10.6354 ± 0.0007 Å
• b: 10.7608 ± 0.0007 Å
• c: 11.0786 ± 0.0007 Å
• α: 66.546 ± 0.003°
• β: 66.529 ± 0.002°
• γ: 84.182 ± 0.003°
• Cell volume: 1064.44 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No