Information card for entry 4085948

Structure parameters

• Formula: C25 H26 S Si
• Calculated formula: C25 H26 S Si
• SMILES: [SiH](c1c(cc2c(c1c1cccc3c1cccc3)cccc2)CSCC)(C)C
• Title of publication: Intramolecularly Sulfur-Stabilized Silicon Cations with Chiral Binaphthyl Backbones: Synthesis of Three Different Motifs and Their Application in Enantioselective Diels‒Alder Reactions
• Authors of publication: Rohde, Volker H. G.; Müller, Maria F.; Oestreich, Martin
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3358
• a: 12.55173 ± 0.00018 Å
• b: 7.82999 ± 0.00012 Å
• c: 21.7095 ± 0.0003 Å
• α: 90°
• β: 101.108 ± 0.0013°
• γ: 90°
• Cell volume: 2093.64 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No