Information card for entry 7121750

Structure parameters

• Chemical name: (E)-3-(2-Nitrostyryl)isoxazole-5-sulfonyl fluoride
• Formula: C11 H7 F N2 O5 S
• Calculated formula: C11 H7 F N2 O5 S
• Title of publication: 1-Bromoethene-1-sulfonyl fluoride (BESF) is another good connective hub for SuFEx click chemistry.
• Authors of publication: Smedley, Christopher J.; Giel, Marie-Claire; Molino, Andrew; Barrow, Andrew S.; Wilson, David J. D.; Moses, John E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6020 - 6023
• a: 8.2004 ± 0.0016 Å
• b: 11.919 ± 0.002 Å
• c: 12.4 ± 0.003 Å
• α: 93.86 ± 0.03°
• β: 93.52 ± 0.03°
• γ: 95.79 ± 0.03°
• Cell volume: 1200.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No