Information card for entry 4114295

Structure parameters

• Formula: C16 H21 Br O2 Si
• Calculated formula: C16 H21 Br O2 Si
• SMILES: Brc1ccc([C@@H]2[C@H]([C@H]2/C=C/[Si](C)(C)C)C(=O)OC)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: 14.983 ± 0.002 Å
• b: 20.812 ± 0.006 Å
• c: 5.729 ± 0.004 Å
• α: 90.11 ± 0.04°
• β: 89.99 ± 0.03°
• γ: 89.99 ± 0.02°
• Cell volume: 1786.4 ± 1.4 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No