Information card for entry 7153894

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: o1c(nc(c1c1ccccc1)C(=O)N1CCCC1)c1ccccc1
• Title of publication: A concise approach to polysubstituted oxazoles from N-acyl-2-bromo enamides via a copper(i)/amino acid-catalyzed intramolecular C-O bond formation.
• Authors of publication: Liu, Bingjie; Zhang, Yueteng; Huang, Gang; Zhang, Xinting; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 3912 - 3923
• a: 7.7404 ± 0.0015 Å
• b: 8.6624 ± 0.0017 Å
• c: 13.34 ± 0.003 Å
• α: 81.46 ± 0.03°
• β: 89.7 ± 0.03°
• γ: 70.47 ± 0.03°
• Cell volume: 832.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3106
• Residual factor for significantly intense reflections: 0.2092
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No