Information card for entry 4125534

Structure parameters

• Common name: decasilaisotwistane
• Chemical name: permethyltricyclo[4.3.1.0^3,7^]decasilane
• Formula: C16 H48 Si10
• Calculated formula: C16 H48 Si10
• SMILES: [Si]1([Si]([Si]2([Si@@]3([Si]([Si]([Si@]2([Si]([Si]1([Si]3(C)C)C)(C)C)C)(C)C)(C)C)C)C)(C)C)(C)C
• Title of publication: Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface.
• Authors of publication: Tsurusaki, Akihiro; Koyama, Yu; Kyushin, Soichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.929 ± 0.003 Å
• b: 11.5469 ± 0.0015 Å
• c: 33.309 ± 0.005 Å
• α: 90°
• β: 95.231 ± 0.004°
• γ: 90°
• Cell volume: 6484 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No