Information card for entry 4089468

Structure parameters

• Formula: C15 H16 S Si
• Calculated formula: C15 H16 S Si
• SMILES: c12c(cccc1)SC(c1ccccc1)[Si]2(C)C
• Title of publication: Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides
• Authors of publication: Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz; Woźniak, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3145
• a: 9.3203 ± 0.0017 Å
• b: 20.711 ± 0.0006 Å
• c: 7.6433 ± 0.0008 Å
• α: 90°
• β: 110.89 ± 0.02°
• γ: 90°
• Cell volume: 1378.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No