Information card for entry 2007355

Structure parameters

• Chemical name: 4,4-Dimethyl-2-[(Z)-(2-N-p-anisyl-3,3,3-trifluoro)propenyl]-2-oxazoline.
• Formula: C15 H17 F3 N2 O2
• Calculated formula: C15 H17 F3 N2 O2
• SMILES: FC(F)(F)C(Nc1ccc(OC)cc1)=CC1=NC(CO1)(C)C
• Title of publication: 2-[(<i>Z</i>)-2-(<i>p</i>-Anisidino)-3,3,3-trifluoropropenyl]-4,4-dimethyl-2-oxazoline
• Authors of publication: Liu-Gonzalez, Malva; Sanz-Ruíz, Francisco; Navarro-Martinez, Antonio; García de la Torre, Marta; Fustero-Lardies, Santos
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 875 - 877
• a: 9.109 ± 0.001 Å
• b: 10.74 ± 0.002 Å
• c: 16.04 ± 0.001 Å
• α: 90°
• β: 99 ± 0.1°
• γ: 90°
• Cell volume: 1549.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1614
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No