Information card for entry 4120148

Structure parameters

• Formula: C43 H67 N Si6
• Calculated formula: C43 H67 N Si6
• SMILES: [Si](=C1\[Si]2(N1c1c(C)cccc1C)C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C)(C(C)(C)C)\c1c2ccccc2cc2ccccc12
• 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: 10.948 ± 0.004 Å
• b: 19.788 ± 0.007 Å
• c: 22.493 ± 0.008 Å
• α: 79.389 ± 0.005°
• β: 83.371 ± 0.005°
• γ: 85.483 ± 0.005°
• Cell volume: 4749 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1509
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No