Information card for entry 4127743

Structure parameters

• Formula: C94 H126 N8 O5 Si6
• Calculated formula: C94 H126 N8 O5 Si6
• SMILES: [Si]123([Si@]4([Si@@](O1)(N(C(C)(C)C)C(=N\C(C)(C)C)\c1ccccc1)c1c5Oc6c3cccc6C(c5ccc1)(C)C)[Si@@]13[Si@@]5(O[Si]61([N](=C(N6C(C)(C)C)c1ccccc1)C(C)(C)C)c1c6Oc7c5cccc7C(C)(c6ccc1)C)N(C(=N\C(C)(C)C)/C1=C[C@H]4C=C[C@H]31)C(C)(C)C)[N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C.O(CC)CC.[Si]123([Si@@]4([Si@](O1)(N(C(C)(C)C)C(=N\C(C)(C)C)\c1ccccc1)c1c5Oc6c3cccc6C(c5ccc1)(C)C)[Si@]13[Si@]5(O[Si]61([N](=C(N6C(C)(C)C)c1ccccc1)C(C)(C)C)c1c6Oc7c5cccc7C(C)(c6ccc1)C)N(C(=N\C(C)(C)C)/C1=C[C@@H]4C=C[C@@H]31)C(C)(C)C)[N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C.O(CC)CC
• 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: 12.4375 ± 0.0005 Å
• b: 15.7696 ± 0.0007 Å
• c: 26.0633 ± 0.0012 Å
• α: 76.348 ± 0.004°
• β: 77.032 ± 0.004°
• γ: 77.131 ± 0.004°
• Cell volume: 4762.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No