Information card for entry 4020163

Structure parameters

• Chemical name: (R,E,SS)-Trimethyl-[2-(2-tert-butoxycarbonylamino-2- methoxycarbonylethylsulfinyl)vinyl]silane
• Formula: C14 H27 N O5 S Si
• Calculated formula: C14 H27 N O5 S Si
• Title of publication: L-Cysteine, a Versatile Source of Sulfenic Acids. Synthesis of Enantiopure Alliin analogues
• Authors of publication: Maria C. Aversa; Anna Barattucci; Paola Bonaccorsi; Placido Giannetto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1986 - 1992
• a: 10.159 ± 0.001 Å
• b: 11.094 ± 0.001 Å
• c: 17.907 ± 0.001 Å
• α: 90 ± 0.003°
• β: 90 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 2018.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No