Information card for entry 7156696

Structure parameters

• Formula: C27 H21 O2 P
• Calculated formula: C27 H21 O2 P
• Title of publication: Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.
• Authors of publication: Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2972 - 2984
• a: 15.43 ± 0.003 Å
• b: 8.5473 ± 0.0014 Å
• c: 20.666 ± 0.003 Å
• α: 90°
• β: 127.448 ± 0.009°
• γ: 90°
• Cell volume: 2163.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No