Information card for entry 4022830

Structure parameters

• Formula: C24 H24 O4 Si
• Calculated formula: C24 H24 O4 Si
• SMILES: [Si]1(C(=C(C(=C\c2ccccc2)/C=C1c1ccccc1)C(=O)OC)C(=O)OC)(C)C
• Title of publication: Synthesis of Multiply Substituted Alkylidene Silacyclohexadiene Derivatives via Palladium-Catalyzed Insertion of Alkynes into Alkylidene Silacyclobutenes
• Authors of publication: Junhui Liu; Xiaohua Sun; Mikihiro Miyazaki; Lantao Liu; Congyang Wang; Zhenfeng Xi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3137 - 3140
• a: 9.2495 ± 0.0018 Å
• b: 8.9167 ± 0.0018 Å
• c: 26.294 ± 0.005 Å
• α: 90°
• β: 90.39 ± 0.03°
• γ: 90°
• Cell volume: 2168.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No