Information card for entry 1567101

Structure parameters

• Chemical name: '4-phenyl-2,5-di(quinolin-2-yl)oxazole'
• Formula: C27 H17 N3 O
• Calculated formula: C27 H17 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: 11.3712 ± 0.0005 Å
• b: 9.205 ± 0.0004 Å
• c: 19.1767 ± 0.0009 Å
• α: 90°
• β: 104.402 ± 0.005°
• γ: 90°
• Cell volume: 1944.18 ± 0.16 ų
• Cell temperature: 296.9 ± 0.3 K
• Ambient diffraction temperature: 296.9 ± 0.3 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: 0.0589
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No