Information card for entry 7247828

Structure parameters

• Formula: C28 H23 O3 P
• Calculated formula: C28 H23 O3 P
• SMILES: P1(=O)(C(=C(c2c1cccc2)c1ccc(OC)cc1)c1ccc(OC)cc1)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: 22.937 ± 0.004 Å
• b: 8.7952 ± 0.0015 Å
• c: 11.1318 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.7 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No