Information card for entry 1554930

Structure parameters

• Formula: C16 H25 N O2 S3
• Calculated formula: C16 H25 N O2 S3
• SMILES: S(=O)(N[C@H](C1SCCCS1)c1ccc(OC)cc1)C(C)(C)C
• 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: 5.36225 ± 0.00005 Å
• b: 12.0412 ± 0.0001 Å
• c: 27.5363 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.96 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No