Information card for entry 1566996

Structure parameters

• Formula: C15 H15 N O S
• Calculated formula: C15 H15 N O S
• Title of publication: Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.
• Authors of publication: Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6567 - 6572
• a: 15.7788 ± 0.0018 Å
• b: 5.6659 ± 0.0007 Å
• c: 16.0675 ± 0.0019 Å
• α: 90°
• β: 116.848 ± 0.003°
• γ: 90°
• Cell volume: 1281.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No