Information card for entry 2207357

Structure parameters

• Chemical name: 4-[4-(Dimethylamino)phenyl]-1-phenylsulfonylbut-3-en-2-one
• Formula: C18 H19 N O3 S
• Calculated formula: C18 H19 N O3 S
• Title of publication: 4-[4-(Dimethylamino)phenyl]-1-(phenylsulfonyl)but-3-en-2-one
• Authors of publication: Wen Pei; Yongjiang Wang; Li Sun; Xiaobo Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3883 - o3884
• a: 7.224 ± 0.002 Å
• b: 19.712 ± 0.006 Å
• c: 12.177 ± 0.005 Å
• α: 90°
• β: 105.272 ± 0.014°
• γ: 90°
• Cell volume: 1672.8 ± 1 ų
• Cell temperature: 296 ± 1 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 significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes