Information card for entry 4120149

Structure parameters

• Formula: C43 H67 N Si6
• Calculated formula: C43 H67 N Si6
• SMILES: [Si]12(N3[C@@]2([Si@@H](c2c4c(cc5c2cccc5)cccc4)C(C)(C)C)Cc2cccc(c32)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C.[Si]12(N3[C@]2([Si@H](c2c4c(cc5c2cccc5)cccc4)C(C)(C)C)Cc2cccc(c32)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• 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: 11.348 ± 0.005 Å
• b: 11.504 ± 0.005 Å
• c: 18.296 ± 0.008 Å
• α: 95.759 ± 0.007°
• β: 98.683 ± 0.007°
• γ: 96.673 ± 0.007°
• Cell volume: 2328.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0991
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No