Information card for entry 1576232

Structure parameters

• Formula: C37 H63 N3 O Si2
• Calculated formula: C37 H63 N3 O Si2
• Title of publication: Chelation-assisted multiple and relay C–H functionalization of unactivated aliphatic E-alkenes
• Authors of publication: Wang, Yini; Li, Xiaoli; Peng, Chengxing; Chen, Yu; Lu, Xi; Zhu, Yuhang; Yu, Peiyuan; Zhong, Guofu; Zhang, Jian
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 11.1747 ± 0.0007 Å
• b: 21.3153 ± 0.0013 Å
• c: 33.4672 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7971.6 ± 0.8 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No