Information card for entry 1553218

Structure parameters

• Formula: C25 H27 N O2 S
• Calculated formula: C25 H27 N O2 S
• SMILES: S(=O)(=O)(C(CN(Cc1ccccc1)Cc1ccccc1)/C=C/c1ccccc1)C
• Title of publication: Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones
• Authors of publication: Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 259
• a: 8.6446 ± 0.0011 Å
• b: 10.8046 ± 0.0015 Å
• c: 24.326 ± 0.003 Å
• α: 90°
• β: 99.922 ± 0.002°
• γ: 90°
• Cell volume: 2238.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No