Information card for entry 4127436

Structure parameters

• Formula: C20.15 H27.88 Cl1.42 N O5 S
• Calculated formula: C20.152 H27.88 Cl1.424 N O5 S
• Title of publication: Synthesis of anti-1,3 Amino Alcohol Motifs via Pd(II)/SOX Catalysis with the Capacity for Stereodivergence.
• Authors of publication: Ma, Rulin; Young, Jonathon; Promontorio, Rossella; Dannheim, Friederike M.; Pattillo, Christopher C.; White, M. Christina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9468 - 9473
• a: 5.9675 ± 0.0003 Å
• b: 11.0636 ± 0.0005 Å
• c: 16.9266 ± 0.0008 Å
• α: 80.064 ± 0.002°
• β: 89.981 ± 0.002°
• γ: 75.078 ± 0.002°
• Cell volume: 1062.5 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No