Information card for entry 7247829

Structure parameters

• Formula: C28 H25 O P
• Calculated formula: C28 H25 O P
• SMILES: P(=O)(/C(=C/c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Direct air-induced arylphosphinoyl radicals for the synthesis of benzo[b]phosphole oxides
• Authors of publication: Huang, Mingqing; Huang, Haiyang; You, Mengyao; Zhang, Xinxin; Sun, Longgen; Chen, Chao; Mei, Zhichao; Yang, Ruchun; Xiao, Qiang
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 295 - 299
• a: 13.961 ± 0.002 Å
• b: 9.9168 ± 0.0016 Å
• c: 21.452 ± 0.003 Å
• α: 90°
• β: 106.577 ± 0.003°
• γ: 90°
• Cell volume: 2846.6 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1132
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No