Information card for entry 4079723

Structure parameters

• Common name: 7a
• Formula: C36 H54 Cl N3 O2 Si2
• Calculated formula: C36 H54 Cl N3 O2 Si2
• SMILES: O=C(OC)C(=C(\[Si](Cl)(=Nc1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1ccccc1)\[Si](C)(C)C
• 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: 10.588 ± 0.002 Å
• b: 10.827 ± 0.002 Å
• c: 19.271 ± 0.005 Å
• α: 77.452 ± 0.01°
• β: 82.016 ± 0.011°
• γ: 70.643 ± 0.009°
• Cell volume: 2029.1 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No