Information card for entry 1554729

Structure parameters

• Formula: C20 H17 O2 P
• Calculated formula: C20 H17 O2 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)CC(=O)c1ccccc1
• Title of publication: Stepwise photosensitized C(sp3)–C(CO) bond cleavage and C–P bond formation of 1,3-dicarbonyls with arylphosphine oxides
• Authors of publication: Zhao, Xiuli; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Wu, Yangjie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 1433
• a: 16.191 ± 0.002 Å
• b: 17.7337 ± 0.0007 Å
• c: 8.5986 ± 0.0011 Å
• α: 90°
• β: 137.72 ± 0.03°
• γ: 90°
• Cell volume: 1661 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No