Information card for entry 1502568

Structure parameters

• Formula: C16 H23 N O S2 Si
• Calculated formula: C16 H23 N O S2 Si
• SMILES: S(c1ccc(cc1)C)CC(N1C(=O)SC=C1)C[Si](C)(C)C
• Title of publication: Nucleophilic ortho allylation of aryl and heteroaryl sulfoxides.
• Authors of publication: Eberhart, Andrew J.; Imbriglio, Jason E.; Procter, David J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5882 - 5885
• a: 6.2191 ± 0.001 Å
• b: 10.17 ± 0.0016 Å
• c: 15.271 ± 0.002 Å
• α: 106.094 ± 0.002°
• β: 96.229 ± 0.003°
• γ: 99.146 ± 0.003°
• Cell volume: 904.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No