Information card for entry 1554867

Structure parameters

• Formula: C23 H26 Br N O4 S
• Calculated formula: C23 H26 Br N O4 S
• SMILES: Brc1ccc(/C(=C\2CN(S(=O)(=O)c3ccc(cc3)C)CC[C@@H]2CC(=O)OC)C)cc1
• Title of publication: Chiral pyrrolidines and piperidines from enantioselective rhodium-catalyzed cascade arylative cyclization.
• Authors of publication: Serpier, Fabien; Flamme, Benjamin; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1720 - 1723
• a: 9.8067 ± 0.0014 Å
• b: 9.9678 ± 0.0014 Å
• c: 11.8916 ± 0.0017 Å
• α: 90°
• β: 104.237 ± 0.007°
• γ: 90°
• Cell volume: 1126.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No