Information card for entry 7154975

Structure parameters

• Chemical name: (E)-2,3-diphenyl-N-tosylbut-2-enamide
• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: S(=O)(=O)(NC(=O)/C(=C(c1ccccc1)\C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.
• Authors of publication: Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3022 - 3026
• a: 9.71 ± 0.003 Å
• b: 19.2 ± 0.005 Å
• c: 22.065 ± 0.006 Å
• α: 90°
• β: 97.104 ± 0.004°
• γ: 90°
• Cell volume: 4082 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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 all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No