Information card for entry 4132692

Structure parameters

• Formula: C26 H29 N O7 S
• Calculated formula: C26 H29 N O7 S
• Title of publication: Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.
• Authors of publication: Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10658 - 10662
• a: 8.1073 ± 0.0003 Å
• b: 12.6392 ± 0.0005 Å
• c: 13.2065 ± 0.0006 Å
• α: 74.9956 ± 0.0016°
• β: 81.3175 ± 0.0016°
• γ: 71.4936 ± 0.0014°
• Cell volume: 1236.03 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No