Information card for entry 7114005

Structure parameters

• Formula: C22 H27 N O3 S
• Calculated formula: C22 H27 N O3 S
• SMILES: S(=O)(N[C@H](c1ccc(C(=O)OC)cc1)CC(=C)c1ccccc1)C(C)(C)C
• Title of publication: 3-Component palladium‒indium mediated diastereoselective cascade allylation of imines with allenes and aryl iodidesElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b202940e/
• Authors of publication: Cooper, Ian R.; Grigg, Ronald; MacLachlan, William S.; Thornton-Pett, Mark; Sridharan, Visuvanathar
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1372
• a: 6.246 ± 0.0001 Å
• b: 16.5619 ± 0.0003 Å
• c: 20.0492 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2074 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No