Information card for entry 7115792

Structure parameters

• Formula: C18 H22 O2 S2
• Calculated formula: C18 H22 O2 S2
• Title of publication: Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines
• Authors of publication: Jose A. Souto; Willian Lewis; Robert A. Stockman
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12630
• a: 7.5624 ± 0.0011 Å
• b: 8.0233 ± 0.0011 Å
• c: 8.1209 ± 0.0009 Å
• α: 84.776 ± 0.01°
• β: 69.822 ± 0.012°
• γ: 61.946 ± 0.015°
• Cell volume: 406.65 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No