Information card for entry 7239420

Structure parameters

• Formula: C18 H17 F N2
• Calculated formula: C18 H17 F N2
• Title of publication: PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives
• Authors of publication: Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 8300
• a: 17.924 ± 0.007 Å
• b: 14.035 ± 0.006 Å
• c: 5.888 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No