Information card for entry 7123840

Structure parameters

• Formula: C18 H18 O2 S
• Calculated formula: C18 H18 O2 S
• Title of publication: Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin
• Authors of publication: Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.79 ± 0.003 Å
• b: 8.39 ± 0.002 Å
• c: 8.689 ± 0.003 Å
• α: 108.45 ± 0.03°
• β: 102.39 ± 0.03°
• γ: 112.79 ± 0.04°
• Cell volume: 399.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No