Information card for entry 4114246

Structure parameters

• Formula: C15 H24 F9 K O8 S
• Calculated formula: C15 H24 F9 K O8 S
• SMILES: S(=O)(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Noncyclic [10-S-5] Sulfuranide Dioxide Salts with Three S-C Bonds: A New Class of Stable Hypervalent Compounds
• Authors of publication: Dmitri V. Sevenard; Alexander A. Kolomeitsev; Berthold Hoge; Enno Lork; Gerd-Volker Röschenthaler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12366 - 12367
• a: 9.1268 ± 0.0011 Å
• b: 15.632 ± 0.003 Å
• c: 9.5243 ± 0.0009 Å
• α: 90°
• β: 118.474 ± 0.007°
• γ: 90°
• Cell volume: 1194.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No