Information card for entry 7130712

Structure parameters

• Formula: C11 H13 F O4 S2
• Calculated formula: C11 H13 F O4 S2
• Title of publication: A Diversity Oriented Clicking Strategy: The Stereoselective Synthesis of Highly-Functionalised Olefins from 2-Substituted-Alkynyl-1-Sulfonyl Fluorides
• Authors of publication: Smedley, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.4459 ± 0.0003 Å
• b: 12.554 ± 0.0005 Å
• c: 13.0923 ± 0.0005 Å
• α: 114.362 ± 0.001°
• β: 102.263 ± 0.001°
• γ: 96.976 ± 0.001°
• Cell volume: 1343.37 ± 0.09 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: 0.0645
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No