Information card for entry 2242292

Structure parameters

• Chemical name: <i>trans</i>-1,4-Bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile
• Formula: C14 H22 N2 O2 Si2
• Calculated formula: C14 H22 N2 O2 Si2
• SMILES: [Si](OC1(C#N)C=CC(O[Si](C)(C)C)(C=C1)C#N)(C)(C)C
• Title of publication: Crystal structure oftrans-1,4-bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile
• Authors of publication: Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias
• Journal of publication: Acta Crystallographica Section E Structure Reports Online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 77
• a: 8.077 ± 0.0005 Å
• b: 11.2234 ± 0.0006 Å
• c: 9.4377 ± 0.0006 Å
• α: 90°
• β: 97.7087 ± 0.0019°
• γ: 90°
• Cell volume: 847.81 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 2.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes