Information card for entry 4126805

Structure parameters

• Formula: C34 H70 Si6
• Calculated formula: C34 H70 Si6
• SMILES: [Si]1(=[Si](C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.
• Authors of publication: Kosai, Tomoyuki; Iwamoto, Takeaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.4276 ± 0.0002 Å
• b: 20.6936 ± 0.0004 Å
• c: 21.2036 ± 0.0004 Å
• α: 89.986 ± 0.001°
• β: 86.404 ± 0.001°
• γ: 79.816 ± 0.001°
• Cell volume: 4063.19 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No