Information card for entry 4126804

Structure parameters

• Formula: C42 H74 B N Si4
• Calculated formula: C42 H74 B N Si4
• 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: 14.9159 ± 0.0006 Å
• b: 17.9452 ± 0.0008 Å
• c: 16.0708 ± 0.0007 Å
• α: 90°
• β: 98.353 ± 0.001°
• γ: 90°
• Cell volume: 4256 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No