Information card for entry 4118227

Structure parameters

• Formula: C17 H25 N O2 S
• Calculated formula: C17 H25 N O2 S
• SMILES: S(=O)(=O)(N1CC[C@H](C2CCCCC2)C1)c1ccc(C)cc1
• Title of publication: Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents
• Authors of publication: Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11124 - 11127
• a: 6.3826 ± 0.0002 Å
• b: 17.8095 ± 0.0007 Å
• c: 14.7575 ± 0.0005 Å
• α: 90°
• β: 99.669 ± 0.004°
• γ: 90°
• Cell volume: 1653.67 ± 0.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No