Information card for entry 7151132

Structure parameters

• Formula: C29 H31 Cl3 O Si2
• Calculated formula: C29 H31 Cl3 O Si2
• SMILES: Clc1c(C(=C(\[Si](C)(C)C)C2=C(C([Si](C)(C)C)c3c2cccc3)c2ccccc2)/O)c(Cl)cc(Cl)c1
• Title of publication: Formation of stable enols from 1,4-dilithio-1,3-dienes and acid chlorides by a de-aromatization/Michael addition/re-aromatization domino process.
• Authors of publication: Hu, Qiaoshu; Wang, Chao; Li, Dongzhen; Xi, Zhenfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 2114 - 2118
• a: 11.237 ± 0.002 Å
• b: 11.608 ± 0.002 Å
• c: 13.253 ± 0.003 Å
• α: 68.38 ± 0.03°
• β: 84.74 ± 0.03°
• γ: 66.43 ± 0.03°
• Cell volume: 1469.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.079
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No