Information card for entry 1568164

Structure parameters

• Formula: C24 H24 S Si
• Calculated formula: C24 H24 S Si
• SMILES: [Si@H](c1c(cc(cc1C)C)C)(c1ccccc1)C(=C\c1sccc1)\C#CC
• Title of publication: An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.
• Authors of publication: Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1123 - 1131
• a: 9.1046 ± 0.0007 Å
• b: 7.8073 ± 0.0006 Å
• c: 15.404 ± 0.0011 Å
• α: 90°
• β: 101.618 ± 0.007°
• γ: 90°
• Cell volume: 1072.52 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No