Information card for entry 4120146

Structure parameters

• Formula: C47 H77 N O Si6
• Calculated formula: C47 H77 N O Si6
• SMILES: N(=C\1[Si]([Si]21C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C)(C(C)(C)C)c1c2ccccc2cc2ccccc12)/c1c(C)cccc1C.CCOCC
• 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: 15.3783 ± 0.0016 Å
• b: 17.703 ± 0.0019 Å
• c: 20.58 ± 0.002 Å
• α: 80.765 ± 0.002°
• β: 82.54 ± 0.002°
• γ: 72.642 ± 0.001°
• Cell volume: 5258.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0859
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No