Information card for entry 4038332

Structure parameters

• Formula: C39 H32 Cl2 O2 P2 Zn
• Calculated formula: C39 H32 Cl2 O2 P2 Zn
• Title of publication: Zn-Catalyzed Cyanation of Aryl Iodides.
• Authors of publication: Zhao, LuLu; Dong, Yanan; Xia, Qiangqiang; Bai, Jian-Fei; Li, Yuehui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.349 ± 0.0013 Å
• b: 18.809 ± 0.002 Å
• c: 16.489 ± 0.002 Å
• α: 90°
• β: 94.802 ± 0.002°
• γ: 90°
• Cell volume: 3507.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No