Information card for entry 1566591

Structure parameters

• Formula: C25 H25 O2 P
• Calculated formula: C25 H25 O2 P
• Title of publication: Ni-Catalyzed Asymmetric Hydrophosphinylation of Conjugated Enynes and Mechanistic Studies
• Authors of publication: Zhang, Ya-Qian; Zhang, Qingwei; Han, Xue-Yu; Wu, Yue; Qi, Peng-Jia; Zhang, Qing
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 5.89107 ± 0.00007 Å
• b: 16.00327 ± 0.00017 Å
• c: 22.3169 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.96 ± 0.04 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No