Information card for entry 4126291

Structure parameters

• Formula: C22 H40 B2 Cl3 N O Si2
• Calculated formula: C22 H40 B2 Cl3 N O Si2
• SMILES: B1(C(CC(=[B](Cl)(Cl)Cl)N1c1c(C(C)C)cccc1C(C)C)([Si](C)(C)C)[Si](C)(C)C)OC
• Title of publication: Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.
• Authors of publication: Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.197 ± 0.0005 Å
• b: 16.4382 ± 0.0007 Å
• c: 17.6122 ± 0.0008 Å
• α: 90°
• β: 100.323 ± 0.003°
• γ: 90°
• Cell volume: 2904.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No