Information card for entry 7131338

Structure parameters

• Formula: C27 H23 F3 N O2 P
• Calculated formula: C27 H23 F3 N O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(N(O)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
• Title of publication: Synthesis and antitumor activities of α-hydroxyamino phosphine oxides by catalyst-free hydrophosphinylation of nitrones.
• Authors of publication: Zhao, Pengfei; Li, Peiyuan; Xiao, Jian; Wang, Yali; Hao, Xiaohui; Meng, Aiguo; Liu, Chunyan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2624 - 2627
• a: 9.638 ± 0.005 Å
• b: 10.08 ± 0.005 Å
• c: 14.098 ± 0.007 Å
• α: 92.062 ± 0.007°
• β: 106.913 ± 0.007°
• γ: 109.626 ± 0.007°
• Cell volume: 1220.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No