Information card for entry 7155955

Structure parameters

• Formula: C22 H17 O3 P
• Calculated formula: C22 H17 O3 P
• Title of publication: Regioselective Phosphinylation of Coumarins under Green LED Irradiation and Mechanism Study
• Authors of publication: Li, Qingrui; Zhao, Xiuli; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.6045 ± 0.0003 Å
• b: 21.7424 ± 0.0007 Å
• c: 10.3736 ± 0.0004 Å
• α: 90°
• β: 109.45 ± 0.004°
• γ: 90°
• Cell volume: 1829.97 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No