Information card for entry 2204098

Structure parameters

• Chemical name: 3-(4-methoxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one
• Formula: C23 H23 N O4 S
• Calculated formula: C23 H23 N O4 S
• SMILES: S(=O)(=O)(NC(c1ccc(OC)cc1)CC(=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: 3-(4-Methoxyphenyl)-1-phenyl-3-(<i>p</i>-toluenesulfonylamino)propan-1-one
• Authors of publication: Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Li, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1290 - o1291
• a: 9.884 ± 0.003 Å
• b: 9.924 ± 0.003 Å
• c: 11.738 ± 0.003 Å
• α: 94.267 ± 0.005°
• β: 91.985 ± 0.004°
• γ: 116.676 ± 0.004°
• Cell volume: 1023 ± 0.5 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: 0.0805
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes