Information card for entry 7155293

Structure parameters

• Chemical name: 2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate
• Formula: C26 H20 F4 N2 O4
• Calculated formula: C26 H20 F4 N2 O4
• Title of publication: Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.
• Authors of publication: Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 10074 - 10079
• a: 9.7279 ± 0.0017 Å
• b: 11.657 ± 0.002 Å
• c: 22.965 ± 0.004 Å
• α: 76.436 ± 0.003°
• β: 80.414 ± 0.003°
• γ: 70.405 ± 0.003°
• Cell volume: 2373.9 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No