Information card for entry 4030839

Structure parameters

• Formula: C19 H33 N O2 S Si
• Calculated formula: C19 H33 N O2 S Si
• SMILES: [Si](c1ccc([C@@H](SC)C)c(OC(=O)N(C(C)C)C(C)C)c1)(C)(C)C
• Title of publication: Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.
• Authors of publication: Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 7
• Pages of publication: 3368
• a: 7.857 ± 0.0016 Å
• b: 11.876 ± 0.003 Å
• c: 13.396 ± 0.003 Å
• α: 70.095 ± 0.004°
• β: 77.111 ± 0.004°
• γ: 79.851 ± 0.004°
• Cell volume: 1138.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No