Information card for entry 4110772

Structure parameters

• Formula: C29 H40 Br2 N2 Si
• Calculated formula: C29 H40 Br2 N2 Si
• SMILES: Br[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)Br
• Title of publication: A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity
• Authors of publication: Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9628 - 9629
• a: 12.5896 ± 0.0011 Å
• b: 19.4347 ± 0.0018 Å
• c: 13.3933 ± 0.0012 Å
• α: 90°
• β: 117.257 ± 0.002°
• γ: 90°
• Cell volume: 2913.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No