Information card for entry 4086508

Structure parameters

• Formula: C45 H70 N4 O Si2
• Calculated formula: C45 H70 N4 O Si2
• SMILES: N(=[Si]1(N([Si](C)(C)C)C1(c1ccc(cc1)C)c1ccc(cc1)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• Title of publication: Selective Silylation of Nitriles with an NHC-Stabilized Silylene to 1,2-Disilylimines and Subsequent Synthesis of Silaaziridines
• Authors of publication: Li, Jianfeng; Ma, Bing; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1358
• a: 14.804 ± 0.003 Å
• b: 20.954 ± 0.004 Å
• c: 15.085 ± 0.003 Å
• α: 90°
• β: 98.77 ± 0.03°
• γ: 90°
• Cell volume: 4624.7 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No