Information card for entry 4122018

Structure parameters

• Formula: C25 H27 N O2 S2
• Calculated formula: C25 H27 N O2 S2
• SMILES: S(=O)(=O)(N1[C@H]([C@H](Sc2ccccc2)CCCC1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Lewis base catalyzed, enantioselective, intramolecular sulfenoamination of olefins.
• Authors of publication: Denmark, Scott E.; Chi, Hyung Min
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 8915 - 8918
• a: 6.0841 ± 0.0005 Å
• b: 15.6924 ± 0.0012 Å
• c: 22.5997 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0253
• 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: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No