Information card for entry 1507750

Structure parameters

• Formula: C17 H24 O5 Si
• Calculated formula: C17 H24 O5 Si
• SMILES: [Si@@]1(CCC[C@@H](C(=O)OC)[C@H]1C(=O)OC)(c1ccc(OC)cc1)C
• Title of publication: Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.
• Authors of publication: Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2902 - 2905
• a: 6.33447 ± 0.00014 Å
• b: 8.09469 ± 0.00016 Å
• c: 34.4211 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.96 ± 0.06 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No