Information card for entry 4038472

Structure parameters

• Formula: C22 H20 Br O2 P
• Calculated formula: C22 H20 Br O2 P
• Title of publication: TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides.
• Authors of publication: Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 5.6728 ± 0.0012 Å
• b: 9.823 ± 0.002 Å
• c: 17.884 ± 0.004 Å
• α: 86.194 ± 0.003°
• β: 88.953 ± 0.004°
• γ: 75.743 ± 0.003°
• Cell volume: 963.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0454
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No