Information card for entry 4029087

Structure parameters

• Formula: C24 H22 O4 S
• Calculated formula: C24 H22 O4 S
• SMILES: S(=O)(=O)([C@H]1[C@@H](c2cc3OCOc3cc2CC1)c1ccc(cc1)C)c1ccccc1
• Title of publication: Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.
• Authors of publication: Denmark, Scott E.; Jaunet, Alex
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 140 - 171
• a: 5.7172 ± 0.0012 Å
• b: 10.941 ± 0.002 Å
• c: 15.717 ± 0.003 Å
• α: 90°
• β: 92.598 ± 0.003°
• γ: 90°
• Cell volume: 982.1 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No