Information card for entry 2007606

Structure parameters

• Chemical name: (E)-S-(2-cyclohexylethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine
• Formula: C21 H25 N O3 S2
• Calculated formula: C21 H25 N O3 S2
• Title of publication: Conformational Variations in Vinylsulfoximines
• Authors of publication: Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1335 - 1341
• a: 10.37 ± 0.002 Å
• b: 9.9267 ± 0.0018 Å
• c: 19.9997 ± 0.0016 Å
• α: 90°
• β: 94.285 ± 0.01°
• γ: 90°
• Cell volume: 2053 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No