Information card for entry 4108295

Structure parameters

• Formula: C20 H38 I N O Si Sn
• Calculated formula: C20 H38 I N O Si Sn
• SMILES: [C@H](c1ccccc1)([Si](C)(C)C[N+]1(CCC[C@H]1COC)C)[Sn](C)(C)C.[I-]
• Title of publication: Structure/Reactivity Studies on an α-Lithiated Benzylsilane: Chemical Interpretation of Experimental Charge Density
• Authors of publication: Holger Ott; Christian Däschlein; Dirk Leusser; Daniel Schildbach; Timo Seibel; Dietmar Stalke; Carsten Strohmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11901 - 11911
• a: 8.9491 ± 0.0009 Å
• b: 14.9054 ± 0.0014 Å
• c: 18.5409 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No