Information card for entry 2007605

Structure parameters

• Chemical name: (E)-S-(propenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine
• Formula: C16 H17 N O3 S2
• Calculated formula: C16 H17 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: 35.6712 ± 0.0018 Å
• b: 5.8847 ± 0.0019 Å
• c: 15.4068 ± 0.0015 Å
• α: 90°
• β: 90.737 ± 0.007°
• γ: 90°
• Cell volume: 3233.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• 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: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No