Information card for entry 4079722

Structure parameters

• Common name: 3
• Formula: C40 H56 Cl N3 Si2
• Calculated formula: C40 H56 Cl N3 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)c1ccccc1)c1ccccc1
• 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: 10.483 ± 0.003 Å
• b: 10.8 ± 0.004 Å
• c: 19.839 ± 0.006 Å
• α: 91.576 ± 0.004°
• β: 90.342 ± 0.005°
• γ: 109.762 ± 0.007°
• Cell volume: 2112.7 ± 1.2 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: 0.0511
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No