Information card for entry 7117768

Structure parameters

• Formula: C26 H23 N O2 S
• Calculated formula: C26 H23 N O2 S
• SMILES: c1cc(C)ccc1S(=O)(=O)N1CCc2c1c1ccccc1c(C)c2c1ccccc1
• Title of publication: Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.
• Authors of publication: Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 70
• Pages of publication: 13550 - 13553
• a: 9.311 ± 0.002 Å
• b: 10.003 ± 0.002 Å
• c: 23.556 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No