Information card for entry 4120147

Structure parameters

• Formula: C39 H65 N Si6
• Calculated formula: C39 H65 N Si6
• SMILES: N(=C1\[Si]2([Si]1(C(C)(C)C)c1cccc3ccccc13)C(CCC2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)/c1c(C)cccc1C
• Title of publication: Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition
• Authors of publication: Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10606 - 10609
• a: 11.687 ± 0.002 Å
• b: 20.969 ± 0.004 Å
• c: 21.104 ± 0.005 Å
• α: 108.521 ± 0.004°
• β: 106.022 ± 0.003°
• γ: 103.615 ± 0.003°
• Cell volume: 4407.4 ± 1.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No