Information card for entry 4518082

Structure parameters

• Formula: C30 H36 N4 O Si
• Calculated formula: C30 H36 N4 O Si
• Title of publication: Facilitating Ir-Catalyzed C‒H Alkynylation with Electrochemistry: Anodic Oxidation-Induced Reductive Elimination
• Authors of publication: Ye, Xiaohan; Wang, Chenhuan; Zhang, Shuyao; Wei, Jingwen; Shan, Chuan; Wojtas, Lukasz; Xie, Yan; Shi, Xiaodong
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 11693 - 11699
• a: 11.2966 ± 0.0003 Å
• b: 17.3143 ± 0.0004 Å
• c: 23.2024 ± 0.0005 Å
• α: 101.869 ± 0.0009°
• β: 102.938 ± 0.001°
• γ: 99.047 ± 0.0008°
• Cell volume: 4228.98 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No