Information card for entry 1574629

Structure parameters

• Chemical name: <i>tert</i>-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate
• Formula: C18 H23 F N2 O6 S
• Calculated formula: C18 H23 F N2 O6 S
• Title of publication: tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate
• Authors of publication: Abdul Manan, Mohd Abdul Fatah; Cordes, David B.
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 5
• Pages of publication: x250385
• a: 13.271 ± 0.003 Å
• b: 13.904 ± 0.003 Å
• c: 11.206 ± 0.002 Å
• α: 90°
• β: 105.547 ± 0.006°
• γ: 90°
• Cell volume: 1992.1 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No