Information card for entry 7160411

Structure parameters

• Formula: C22 H15 N O2
• Calculated formula: C22 H15 N O2
• Title of publication: Oxidative annulation of L-phenylalanine using I₂/DMSO: an easy approach for chemoselective synthesis of 2,3,5-trisubstituted pyridines and 2,5-disubstituted oxazoles.
• Authors of publication: Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 3437 - 3442
• a: 9.5905 ± 0.0013 Å
• b: 9.8247 ± 0.0013 Å
• c: 17.961 ± 0.002 Å
• α: 90°
• β: 105.033 ± 0.005°
• γ: 90°
• Cell volume: 1634.4 ± 0.4 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 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: 0.0898
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No