Information card for entry 7155416

Structure parameters

• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: c1cc2ccccc2nc1CC(C(=O)Nc1ccccc1)(c1ccccc1)O
• 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: 14.7029 ± 0.0005 Å
• b: 5.8234 ± 0.0002 Å
• c: 22.2875 ± 0.0007 Å
• α: 90°
• β: 109.218 ± 0.0017°
• γ: 90°
• Cell volume: 1801.93 ± 0.11 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: 0.0547
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No