Information card for entry 4127744

Structure parameters

• Formula: C45 H64 N6 O Si3
• Calculated formula: C45 H64 N6 O Si3
• SMILES: [SiH2]1[Si@@](N(C(=N\C(C)(C)C)\c2ccccc2)C(C)(C)C)(c2c3Oc4c([Si@]1(N(/C(=N/C(C)(C)C)c1ccccc1)C(C)(C)C)N)cccc4C(c3ccc2)(C)C)N
• Title of publication: Synthesis of an Isolable Bis(silylene)-Stabilized Silylone and Its Reactivity Toward Small Gaseous Molecules.
• Authors of publication: Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Kaushansky, Alexander; Apeloig, Yitzhak; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12916 - 12927
• a: 9.6926 ± 0.0004 Å
• b: 13.9099 ± 0.0006 Å
• c: 17.6215 ± 0.0008 Å
• α: 70.283 ± 0.004°
• β: 88.832 ± 0.004°
• γ: 80.984 ± 0.004°
• Cell volume: 2207.51 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No