Information card for entry 1516457

Structure parameters

• Formula: C14 H19 N O2 S
• Calculated formula: C14 H19 N O2 S
• SMILES: [C@]1(C=CCCC1)(C)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: 7.3662 ± 0.0004 Å
• b: 17.2624 ± 0.0008 Å
• c: 11.3119 ± 0.0007 Å
• α: 90°
• β: 107.957 ± 0.004°
• γ: 90°
• Cell volume: 1368.33 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No