Information card for entry 4114680

Structure parameters

• Formula: C15 H18 Br N Si
• Calculated formula: C15 H18 Br N Si
• SMILES: Brc1ccc([C@H]2[C@H]([C@@H]2C#N)/C=C/[Si](C)(C)C)cc1
• Title of publication: A Novel Chiral Sulfonium Yilde: Highly Enantioselective Synthesis of Vinylcyclopropanes
• Authors of publication: Song Ye; Zheng-Zheng Huang; Chun-An Xia; Yong Tang; Li-Xin Dai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2432 - 2433
• a: 7.4776 ± 0.0017 Å
• b: 9.396 ± 0.002 Å
• c: 22.56 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.1 ± 0.6 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: 0.1153
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No