Information card for entry 7154159

Structure parameters

• Formula: C22 H29 N O2 S2
• Calculated formula: C22 H29 N O2 S2
• SMILES: S(=O)(=O)(c1ccc(C)cc1)C(=C/N(C(C)C)C(C)C)/Sc1ccc(cc1)C
• Title of publication: Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.
• Authors of publication: Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 46
• Pages of publication: 9337
• a: 15.737 ± 0.004 Å
• b: 14.565 ± 0.003 Å
• c: 20.694 ± 0.005 Å
• α: 90°
• β: 111.581 ± 0.003°
• γ: 90°
• Cell volume: 4410.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No