Information card for entry 4027141

Structure parameters

• Formula: C18 H25 N O2 Si2
• Calculated formula: C18 H25 N O2 Si2
• SMILES: [Si](C)(C)(C)c1cc(ccc1[Si](C)(C)C)c1ccc(N(=O)=O)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: 6.5999 ± 0.0007 Å
• b: 9.3395 ± 0.0011 Å
• c: 16.733 ± 0.0017 Å
• α: 98.497 ± 0.009°
• β: 95.464 ± 0.009°
• γ: 105.447 ± 0.009°
• Cell volume: 973.4 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No