Information card for entry 7112864

Structure parameters

• Formula: C26 H27 N O2 S
• Calculated formula: C26 H27 N O2 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N1C[C@H]([C@@]2(CCC[C@H]12)c1ccccc1)c1ccccc1
• Title of publication: Organocatalytic asymmetric Michael addition of alpha-aryl cyclopentanones to nitroolefins for construction of adjacent quaternary and tertiary stereocenters.
• Authors of publication: Dong, Xiu-Qin; Teng, Huai-Long; Tong, Min-Chao; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6840 - 6842
• a: 7.4773 ± 0.0006 Å
• b: 11.8993 ± 0.0009 Å
• c: 25.2455 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No