Information card for entry 4113648

Structure parameters

• Formula: C20 H32 O2 Si4
• Calculated formula: C20 H32 O2 Si4
• SMILES: c1c2cccc1[Si](C)(O[Si](c1cc(ccc1)[Si](C)(O[Si]2(C)C)C)(C)C)C
• Title of publication: Electron Transfer between Two Silyl-Substituted Phenylene Rings: EPR/ENDOR Spectra, DFT Calculations, and Crystal Structure of the One-Electron Reduction Compound of a Di(m-silylphenylenedisiloxane)
• Authors of publication: Cosmina Dutan; Sylvie Choua; Théo Berclaz; Michel Geoffroy; Nicolas Mézailles; Audrey Moores; Louis Ricard; Pascal Le Floch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4487 - 4494
• a: 7.617 ± 0.005 Å
• b: 8.567 ± 0.005 Å
• c: 10.404 ± 0.005 Å
• α: 100.59 ± 0.005°
• β: 106.34 ± 0.005°
• γ: 106.11 ± 0.005°
• Cell volume: 600.1 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No