Information card for entry 4025525

Structure parameters

• Formula: C21 H23 O Si
• Calculated formula: C21 H23 O Si
• SMILES: [Si](C(=C)[C@@H](c1c2c(cc3c1cccc3)cccc2)CO)(C)(C)C
• Title of publication: Palladium-Catalyzed Allylation of Aryl Halides with Homoallyl Alcohols Bearing a Trisubstituted Double Bond: Application to Chirality Transfer from Hydroxylated Carbon to Benzylic One
• Authors of publication: Ryota Wakabayashi; Daishi Fujino; Sayuri Hayashi; Hideki Yorimitsu; Koichiro Oshima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4337 - 4343
• a: 30.054 ± 0.009 Å
• b: 8.076 ± 0.003 Å
• c: 16.13 ± 0.005 Å
• α: 90°
• β: 109.472 ± 0.01°
• γ: 90°
• Cell volume: 3691 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No