Information card for entry 4132691

Structure parameters

• Formula: C36 H42 O7
• Calculated formula: C36 H42 O7
• 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: 12.941 ± 0.0003 Å
• b: 13.1806 ± 0.0003 Å
• c: 18.8817 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3220.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No