Information card for entry 1567099

Structure parameters

• Chemical name: '2,5-bis(6-methylpyridin-2-yl)-4-(p-tolyl)oxazole'
• Formula: C22 H19 N3 O
• Calculated formula: C22 H19 N3 O
• Title of publication: An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.
• Authors of publication: Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 27
• Pages of publication: 8080 - 8087
• a: 21.1606 ± 0.001 Å
• b: 7.1694 ± 0.0003 Å
• c: 25.5604 ± 0.0014 Å
• α: 90°
• β: 110.862 ± 0.006°
• γ: 90°
• Cell volume: 3623.5 ± 0.3 ų
• Cell temperature: 201 ± 130 K
• Ambient diffraction temperature: 201 ± 130 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No