Information card for entry 7130713

Structure parameters

• Formula: C15 H20 F N O5 S
• Calculated formula: C15 H20 F N O5 S
• 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: 8.4205 ± 0.0019 Å
• b: 19.723 ± 0.005 Å
• c: 10.592 ± 0.002 Å
• α: 90°
• β: 107.954 ± 0.006°
• γ: 90°
• Cell volume: 1673.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.4049
• Weighted residual factors for all reflections included in the refinement: 0.4419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No