Information card for entry 2007072

Structure parameters

• Common name: diphenylsulfoximidium hydrogen sulfate
• Formula: C12 H13 N O5 S2
• Calculated formula: C12 H13 N O5.02 S2
• Title of publication: The First Structural Characterization of a Sulfoximidium Salt
• Authors of publication: Longridge, John J.; Rawson, Jeremy M.; Feeder, Neil; Raithby, Paul R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 398 - 399
• a: 8.9 ± 0.002 Å
• b: 11.508 ± 0.002 Å
• c: 7.7675 ± 0.001 Å
• α: 94.713 ± 0.014°
• β: 107.873 ± 0.013°
• γ: 67.784 ± 0.014°
• Cell volume: 700.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No