Information card for entry 2237252

Structure parameters

• Chemical name: (<i>E</i>)-2-Phenyl-<i>N</i>-tosylnon-2-en-4-ynamide
• Formula: C22 H23 N O3 S
• Calculated formula: C22 H23 N O3 S
• SMILES: CCCCC#C/C=C(/C(=O)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1
• Title of publication: (<i>E</i>)-2-Phenyl-<i>N</i>-tosylnon-2-en-4-ynamide
• Authors of publication: Meng, Xiang-Zhen; Wan, Xin-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o78
• a: 9.8186 ± 0.001 Å
• b: 9.8201 ± 0.0009 Å
• c: 11.3352 ± 0.0013 Å
• α: 81.47 ± 0.008°
• β: 76.308 ± 0.009°
• γ: 75.042 ± 0.009°
• Cell volume: 1021.46 ± 0.19 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: 0.0798
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes