Information card for entry 7156906

Structure parameters

• Formula: C37 H47 N O11 S
• Calculated formula: C37 H47 N O11 S
• Title of publication: Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.
• Authors of publication: Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 6351 - 6354
• a: 10.2529 ± 0.0002 Å
• b: 11.3156 ± 0.0003 Å
• c: 39.0323 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4528.44 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No