Information card for entry 2103851

Structure parameters

• Common name: Di-tert-butyl-bis(trimethylsilyl)silane
• Formula: C14 H36 Si3
• Calculated formula: C17.5999 Si3
• Title of publication: Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals
• Authors of publication: Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 60 - 71
• a: 17.0089 ± 0.0009 Å
• b: 15.3159 ± 0.0008 Å
• c: 15.9325 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 110.343 ± 0.003°
• Cell volume: 3891.6 ± 0.4 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/n
• Hall space group symbol: -P 2n
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections: 0.63
• Diffraction radiation wavelength: 0.399828 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No