Information card for entry 1502974

Structure parameters

• Formula: C22 H21 N O3
• Calculated formula: C22 H21 N O3
• SMILES: o1c(nc(c1/C=C/c1ccccc1)C(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Facile synthesis of polysubstituted oxazoles via a copper-catalyzed tandem oxidative cyclization.
• Authors of publication: Wan, Changfeng; Zhang, Jintang; Wang, Sujing; Fan, Jinmin; Wang, Zhiyong
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2338 - 2341
• a: 6.715 ± 0.005 Å
• b: 17.086 ± 0.005 Å
• c: 16.786 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.45 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1917.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No