Information card for entry 4134862

Structure parameters

• Chemical name: wcp-8-165
• Formula: C15 H18 O4
• Calculated formula: C15 H18 O4
• Title of publication: Intramolecular β-Alkenylation of Cyclohexanones via Pd-Catalyzed Desaturation-Mediated C(sp3)-H/Alkyne Coupling.
• Authors of publication: Wang, Chengpeng; Naren, Nevin A.; Zheng, Pengfei; Dong, Guangbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 19.8814 ± 0.0014 Å
• b: 5.9438 ± 0.0004 Å
• c: 21.4591 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No