Information card for entry 1556270

Structure parameters

• Formula: C44 H48 F6 O12 S8 Zn
• Calculated formula: C44 H48 F6 O12 S8 Zn
• SMILES: CS(c1ccccc1)=[O][Zn]([O]=S(C)c1ccccc1)([O]=S(C)c1ccccc1)([O]=S(C)c1ccccc1)([O]=S(C)c1ccccc1)[O]=S(C)c1ccccc1.O=S(=O)(C(F)(F)F)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A straightforward zinc-catalysed reduction of sulfoxides to sulfides
• Authors of publication: Enthaler, Stephan
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 104
• a: 12.5877 ± 0.0004 Å
• b: 12.5877 ± 0.0004 Å
• c: 29.1803 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4004.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No