Information card for entry 7247092

Structure parameters

• Formula: C28 H21 F2 O2 P
• Calculated formula: C28 H21 F2 O2 P
• Title of publication: “On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides
• Authors of publication: Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 6489 - 6497
• a: 6.1385 ± 0.0004 Å
• b: 11.76 ± 0.0008 Å
• c: 17.0258 ± 0.0011 Å
• α: 104.208 ± 0.006°
• β: 96.087 ± 0.005°
• γ: 103.597 ± 0.006°
• Cell volume: 1140.46 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No