Information card for entry 1566997

Structure parameters

• Formula: C23 H26 N2 O S
• Calculated formula: C23 H26 N2 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: 7.7413 ± 0.0014 Å
• b: 10.5757 ± 0.0019 Å
• c: 25.507 ± 0.005 Å
• α: 90°
• β: 98.727 ± 0.005°
• γ: 90°
• Cell volume: 2064.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No