Information card for entry 1505943

Structure parameters

• Formula: C29 H34 Br2 O5 Si
• Calculated formula: C29 H34 Br2 O5 Si
• SMILES: Brc1ccc(cc1)C(=O)OC[C@@H]1[C@@](COC(=O)c2ccc(Br)cc2)(/C=C\C=C\O[Si](C)(C(C)(C)C)C)C1.Brc1ccc(cc1)C(=O)OC[C@H]1[C@](COC(=O)c2ccc(Br)cc2)(/C=C\C=C\O[Si](C)(C(C)(C)C)C)C1
• Title of publication: Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives.
• Authors of publication: Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 1889 - 1891
• a: 11.4155 ± 0.0016 Å
• b: 20.035 ± 0.003 Å
• c: 25.895 ± 0.004 Å
• α: 90°
• β: 93.774 ± 0.003°
• γ: 90°
• Cell volume: 5909.6 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2047
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No