Information card for entry 1556200

Structure parameters

• Formula: C23 H18 F3 N O2
• Calculated formula: C23 H18 F3 N O2
• Title of publication: Synthesis of trifluoromethylated isoxazolidines: 1,3-dipolar cycloaddition of nitrosoarenes, (trifluoromethyl)diazomethane, and alkenes.
• Authors of publication: Molander, Gary A.; Cavalcanti, Livia N.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3166 - 3169
• a: 20.4457 ± 0.0008 Å
• b: 19.4232 ± 0.0008 Å
• c: 9.4746 ± 0.0004 Å
• α: 90°
• β: 90.583 ± 0.002°
• γ: 90°
• Cell volume: 3762.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No