Information card for entry 7159730

Structure parameters

• Formula: C32 H22 N2 O
• Calculated formula: C32 H22 N2 O
• SMILES: o1c(nc(c2ccc(c3ccccc3)cc2)c1c1ccc(c2ccccc2)cc1)c1ncccc1
• Title of publication: A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)₂: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.
• Authors of publication: Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 759 - 766
• a: 23.6044 ± 0.0008 Å
• b: 23.6044 ± 0.0008 Å
• c: 8.2487 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4595.9 ± 0.4 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No