Information card for entry 1554587

Structure parameters

• Formula: C14 H14 F3 N O2
• Calculated formula: C14 H14 F3 N O2
• Title of publication: Additive-free regio- and diastereoselective construction of fully-substituted isoxazolidines employing diazo compounds
• Authors of publication: Gupta, Ekta; Zaheer, Mohd Khalid; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1109
• a: 11.218 ± 0.003 Å
• b: 12.296 ± 0.003 Å
• c: 16.82 ± 0.005 Å
• α: 108.32 ± 0.02°
• β: 101.98 ± 0.03°
• γ: 102.65 ± 0.02°
• Cell volume: 2051.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1716
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.595
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No