Information card for entry 1516459

Structure parameters

• Formula: C19 H21 N O2 S
• Calculated formula: C19 H21 N O2 S
• SMILES: [C@]1(C=CCCC1)(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.
• Authors of publication: Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 3162 - 3165
• a: 9.7947 ± 0.0004 Å
• b: 9.9666 ± 0.0005 Å
• c: 16.9986 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1659.4 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No