Information card for entry 7159859

Structure parameters

• Formula: C22 H20 Cl O2 P
• Calculated formula: C22 H20 Cl O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C/C=C(c1ccc(Cl)cc1)\CO
• Title of publication: Palladium-catalyzed (<i>Z</i>)-selective allylation of phosphine oxides with vinylethylene carbonates to construct phosphorus allyl alcohols.
• Authors of publication: Huang, Hua; Wu, Yi-Qi; Han, Lu-Yao; Jiang, Lu; Zhang, Zhuo-Zhuo; Zhang, Xiang; Han, Bo; Huang, Wei; Li, Jun-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 3068 - 3072
• a: 5.74906 ± 0.00011 Å
• b: 19.4433 ± 0.0005 Å
• c: 17.5592 ± 0.0004 Å
• α: 90°
• β: 93.9972 ± 0.0018°
• γ: 90°
• Cell volume: 1958.01 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No