Information card for entry 2204247

Structure parameters

• Chemical name: 3-(4-methylphenyl)-1-phenyl-3-(p-tolylsulfonylamino)propan-1-one
• Formula: C23 H23 N O3 S
• Calculated formula: C23 H23 N O3 S
• SMILES: S(=O)(=O)(NC(CC(=O)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 3-(<i>p</i>-Tolyl)-1-phenyl-3-(<i>p</i>-tolylsulfonylamino)propan-1-one
• Authors of publication: Yu, Zhifang; Zhao, Bing; Gu, Xiuyan; Liu, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1474 - o1475
• a: 9.939 ± 0.003 Å
• b: 9.988 ± 0.003 Å
• c: 11.546 ± 0.004 Å
• α: 80.848 ± 0.005°
• β: 86.55 ± 0.006°
• γ: 62.444 ± 0.005°
• Cell volume: 1003.1 ± 0.6 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: 0.098
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes