Information card for entry 1554932

Structure parameters

• Formula: C18 H19 Cl F3 N O S
• Calculated formula: C18 H19 Cl F3 N O S
• Title of publication: Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.
• Authors of publication: Das, Manas; O'Shea, Donal F
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1962 - 1965
• a: 11.7646 ± 0.0004 Å
• b: 15.4251 ± 0.0003 Å
• c: 12.0356 ± 0.0004 Å
• α: 90°
• β: 118.452 ± 0.004°
• γ: 90°
• Cell volume: 1920.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No