Information card for entry 7159887

Structure parameters

• Formula: C21 H19 O2 P
• Calculated formula: C21 H19 O2 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)C(=C)c1ccc(cc1)OC
• Title of publication: Synthesis of alkenylphosphine oxides <i>via</i> Tf₂O promoted addition-elimination of ketones and secondary phosphine oxides.
• Authors of publication: Ma, Jiangkai; Wang, Lianjie; Qiao, Anjiang; Li, Zhongxian; Zhao, Fengqian; Wu, Junliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 3592 - 3596
• a: 24.242 ± 0.018 Å
• b: 8.394 ± 0.004 Å
• c: 17.127 ± 0.012 Å
• α: 90°
• β: 99.39 ± 0.04°
• γ: 90°
• Cell volume: 3438 ± 4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No