Information card for entry 4064875

Structure parameters

• Formula: C45.5 H66 N2 O2 Si
• Calculated formula: C45.5 H66 N2 O2 Si
• SMILES: CC1=CC(=C)N(c2c(cccc2C(C)C)C(C)C)[Si]2(N1c1c(cccc1C(C)C)C(C)C)Oc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C.CCCCC
• Title of publication: Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone
• Authors of publication: Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3853
• a: 12.9856 ± 0.0009 Å
• b: 12.9963 ± 0.0009 Å
• c: 13.3486 ± 0.0009 Å
• α: 73.143 ± 0.001°
• β: 79.428 ± 0.001°
• γ: 88.466 ± 0.001°
• Cell volume: 2118.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1151
• 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: Yes
• Has Fobs: No