Information card for entry 2007607

Structure parameters

• Chemical name: (E)-S-phenyl-S-(4-phenylbut-1-enyl)-N-(p-tolylsulfonyl)sulfoximine
• Formula: C23 H23 N O3 S2
• Calculated formula: C23 H23 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: 9.968 ± 0.003 Å
• b: 11.6851 ± 0.0014 Å
• c: 18.509 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2155.9 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No