Information card for entry 4079720

Structure parameters

• Common name: 2a
• Formula: C34 H52 Cl N3 Si2
• Calculated formula: C34 H52 Cl N3 Si2
• SMILES: [Si](Cl)(=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
• 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: 10.115 ± 0.006 Å
• b: 16.201 ± 0.01 Å
• c: 22.21 ± 0.013 Å
• α: 93.009 ± 0.015°
• β: 90.754 ± 0.011°
• γ: 97.067 ± 0.015°
• Cell volume: 3606 ± 4 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: 0.1764
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.3007
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No