Information card for entry 4134849

Structure parameters

• Formula: C20 H22
• Calculated formula: C20 H22
• Title of publication: Cobalt (II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes.
• Authors of publication: Zhang, Sheng; Bedi, Deepika; Cheng, L. U.; Unruh, Daniel K.; Li, Guigen; Findlater, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.3703 ± 0.0002 Å
• b: 6.6693 ± 0.0001 Å
• c: 8.8119 ± 0.0001 Å
• α: 90°
• β: 103.953 ± 0.001°
• γ: 90°
• Cell volume: 762.577 ± 0.019 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No