Information card for entry 2022417

Structure parameters

• Chemical name: 2-({5-Fluoro-2-[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine
• Formula: C18 H17 F4 N3 O
• Calculated formula: C18 H17 F4 N3 O
• Title of publication: Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis
• Authors of publication: Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 7.9933 ± 0.0002 Å
• b: 24.1126 ± 0.0005 Å
• c: 9.1926 ± 0.0002 Å
• α: 90°
• β: 105.003 ± 0.002°
• γ: 90°
• Cell volume: 1711.38 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No