Information card for entry 4110745

Structure parameters

• Formula: C18 H37 Br O2 S Si
• Calculated formula: C18 H37 Br O2 S Si
• SMILES: [Br-].[S+]([C@@H]1[C@H]2CC[C@@]([C@@H]1OC)(C2(C)C)C)(C)C/C=C/[Si](C)(C)C.O
• Title of publication: Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation
• Authors of publication: Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9730 - 9740
• a: 27.444 ± 0.004 Å
• b: 7.3176 ± 0.0011 Å
• c: 11.7413 ± 0.0018 Å
• α: 90°
• β: 94.928 ± 0.003°
• γ: 90°
• Cell volume: 2349.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No