Information card for entry 7250779

Structure parameters

• Formula: C26 H23 Cl O2 Si
• Calculated formula: C26 H23 Cl O2 Si
• Title of publication: Metal-free C(sp3)–Si activation enables regiocontrolled [4 + 2] cycloaddition to benzosilacycloethers
• Authors of publication: Gao, Liuzhou; Wen, Yan; Sun, Yan; Sun, Yuxin; Hu, Jingyi; Wang, Shenglong; Li, Zhenxing; Han, Ying; Wang, Yidong
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 34
• Pages of publication: 10242 - 10249
• a: 10.2217 ± 0.0013 Å
• b: 25.507 ± 0.003 Å
• c: 9.3872 ± 0.0011 Å
• α: 90°
• β: 110.477 ± 0.003°
• γ: 90°
• Cell volume: 2292.8 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No