Information card for entry 7134808

Structure parameters

• Formula: C20 H16 Cl O P
• Calculated formula: C20 H16 Cl O P
• Title of publication: Electrochemical phosphorylation of α,β-unsaturated carboxylic acids <i>via</i> decarboxylative cross-coupling reaction.
• Authors of publication: Zhang, Zhaoqi; Shen, Yirui; Zhao, Yufen; Wu, Ju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 64
• Pages of publication: 12034 - 12037
• a: 8.9934 ± 0.0002 Å
• b: 9.8046 ± 0.0002 Å
• c: 18.7482 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1653.15 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No