Information card for entry 4027140

Structure parameters

• Formula: C19 H28 O Si2
• Calculated formula: C19 H28 O Si2
• SMILES: [Si](C)(C)(C)c1cc(ccc1[Si](C)(C)C)c1ccc(OC)cc1
• Title of publication: Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions
• Authors of publication: Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3518 - 3523
• a: 10.4103 ± 0.0008 Å
• b: 21.643 ± 0.002 Å
• c: 8.6754 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No