Information card for entry 4089469

Structure parameters

• Formula: C15 H16 S2 Si
• Calculated formula: C15 H16 S2 Si
• SMILES: S1c2ccccc2[Si](c2c(SC1)cccc2)(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: 13.465 ± 0.011 Å
• b: 7.6229 ± 0.0007 Å
• c: 14.273 ± 0.006 Å
• α: 90°
• β: 99.74 ± 0.09°
• γ: 90°
• Cell volume: 1443.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No