Information card for entry 4111272

Structure parameters

• Formula: C20 H22 F4 O6 S2
• Calculated formula: C20 H22 F4 O6 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)OC[C@@H](F)[C@@H]([C@H]([C@@H](COS(=O)(=O)c1ccc(cc1)C)F)F)F
• Title of publication: Enantioselective Synthesis of an All-syn Four Vicinal Fluorine Motif
• Authors of publication: Luke Hunter; David O'Hagan; Alexandra M. Z. Slawin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16422 - 16423
• a: 24.886 ± 0.003 Å
• b: 5.6703 ± 0.0007 Å
• c: 7.9763 ± 0.0011 Å
• α: 90°
• β: 99.066 ± 0.007°
• γ: 90°
• Cell volume: 1111.5 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0897
• 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