Information card for entry 7160248

Structure parameters

• Formula: C21 H19 O3 P
• Calculated formula: C21 H19 O3 P
• Title of publication: Metal-free hydrodifunctionalization of enaminones for the synthesis of ketomethylene-functionalized phosphoryl alcohols.
• Authors of publication: Cao, Dingsheng; Wan, Jie-Ping; Liu, Yunyun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 799 - 802
• a: 9.5836 ± 0.0019 Å
• b: 10.09 ± 0.002 Å
• c: 10.318 ± 0.002 Å
• α: 82.92 ± 0.03°
• β: 78.03 ± 0.03°
• γ: 65.49 ± 0.03°
• Cell volume: 887.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No