Information card for entry 7123382

Structure parameters

• Formula: C41 H53 N3 O Si
• Calculated formula: C41 H53 N3 O Si
• Title of publication: Co(III)-Catalyzed Z-Selective Oxidative C‒H/C‒H Cross-Coupling of Alkenes with Triisopropylsilylacetylene
• Authors of publication: Zhao, Tingxing; Qin, Dekun; Han, Weiguo; Yang, Shiping; Feng, Boya; Gao, Ge; You, Jingsong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.7444 ± 0.0002 Å
• b: 12.6901 ± 0.0002 Å
• c: 24.3021 ± 0.0005 Å
• α: 90°
• β: 90.7365 ± 0.0017°
• γ: 90°
• Cell volume: 3621.63 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No