Information card for entry 7134639

Structure parameters

• Chemical name: P21/n
• Formula: C36 H55 Al N2
• Calculated formula: C36 H55 Al N2
• Title of publication: Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides
• Authors of publication: Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 53
• Pages of publication: 9666 - 9669
• a: 10.4055 ± 0.0004 Å
• b: 25.6624 ± 0.0012 Å
• c: 12.8303 ± 0.0006 Å
• α: 90°
• β: 103.621 ± 0.004°
• γ: 90°
• Cell volume: 3329.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1147
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No