Information card for entry 4126807

Structure parameters

• Formula: C34 H60 Cl3 N Si4
• Calculated formula: C34 H60 Cl3 N Si4
• SMILES: [Si]1([Si](Cl)(Cl)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(N(CCC1([Si](C)(C)C)[Si](C)(C)C)C12CC3CC(C2)CC(C1)C3)Cl
• 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: 15.3152 ± 0.0007 Å
• b: 21.6095 ± 0.0011 Å
• c: 23.3982 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7743.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No