Information card for entry 4114297

Structure parameters

• Formula: C21 H23 Br O Si
• Calculated formula: C21 H23 Br O Si
• SMILES: Brc1ccc([C@@H]2[C@H]([C@H]2/C=C/[Si](C)(C)C)C(=O)c2ccccc2)cc1
• Title of publication: Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides
• Authors of publication: Wei-Wei Liao; Kai Li; Yong Tang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13030 - 13031
• a: 6.1465 ± 0.0005 Å
• b: 16.5995 ± 0.0014 Å
• c: 19.958 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2036.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No