Information card for entry 4079725

Structure parameters

• Common name: 9
• Formula: C33 H51 Cl N4 Si2
• Calculated formula: C33 H51 Cl N4 Si2
• SMILES: Cl[Si](=Nc1c(cccc1C(C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)/C=C([Si](C)(C)C)/c1ncccc1
• Title of publication: Metal-Free, Stereospecific Bis-Silylation of Functionalized Alkynes with NHC-Supported Silylaminosilylene
• Authors of publication: Cui, Haiyan; Ma, Bing; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7339
• a: 9.6398 ± 0.0016 Å
• b: 18.262 ± 0.002 Å
• c: 21.578 ± 0.002 Å
• α: 75.184 ± 0.01°
• β: 78.245 ± 0.015°
• γ: 84.203 ± 0.017°
• Cell volume: 3590.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No