Information card for entry 4110413

Structure parameters

• Formula: C20 H34 Cl N O6 S
• Calculated formula: C20 H34 Cl N O6 S
• SMILES: [C@@H]1([C@H]([C@@]2(CC[C@H]1C2(C)C)C)OC)[S+](C)CC(=O)N(CC=C)CC=C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Highly Enantioselective Synthesis of Glycidic Amides Using Camphor-Derived Sulfonium Salts. Mechanism and Applications in Synthesis
• Authors of publication: Varinder K. Aggarwal; Jonathan P. H. Charmant; Daniel Fuentes; Jeremy N. Harvey; George Hynd; Diasuke Ohara; Willy Picoul; Raphaël Robiette; Catherine Smith; Jean-Luc Vasse; Caroline L. Winn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 2105 - 2114
• a: 7.6504 ± 0.0009 Å
• b: 13.3702 ± 0.0018 Å
• c: 11.4418 ± 0.0019 Å
• α: 90°
• β: 98.291 ± 0.012°
• γ: 90°
• Cell volume: 1158.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No