Information card for entry 1574181

Structure parameters

• Formula: C26.25 H23.5 Br Cl0.5 N O2 P
• Calculated formula: C26.25 H23.5 Br Cl0.5 N O2 P
• Title of publication: Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides
• Authors of publication: Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 7051 - 7056
• a: 10.6028 ± 0.001 Å
• b: 14.0739 ± 0.0012 Å
• c: 18.2273 ± 0.0016 Å
• α: 79.307 ± 0.004°
• β: 73.787 ± 0.004°
• γ: 73.152 ± 0.004°
• Cell volume: 2483.4 ± 0.4 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No