Information card for entry 1555421

Structure parameters

• Formula: C24 H31 N O5 S
• Calculated formula: C24 H31 N O5 S
• SMILES: S(=O)(=O)(N1C[C@@](O)([C@@H]([C@H](C1)c1ccccc1)C(=O)OC(C)(C)C)C)c1ccc(cc1)C
• Title of publication: Access to Polyfunctionalized Chiral Piperidines through Enantioselective Addition-Carbocyclization Cascade Reaction Catalyzed by a Rhodium(I)-Diene Complex.
• Authors of publication: Serpier, Fabien; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5496 - 5499
• a: 5.8376 ± 0.0002 Å
• b: 10.6992 ± 0.0004 Å
• c: 37.5454 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2345 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No