Information card for entry 4129932

Structure parameters

• Formula: C88 H108 Si2
• Calculated formula: C88 H108 Si2
• Title of publication: (Z)-1,2-Di(1-pyrenyl)disilene: Synthesis, Structure, and Intramolecular Charge-Transfer Emission.
• Authors of publication: Kobayashi, Megumi; Hayakawa, Naoki; Matsuo, Tsukasa; Li, Baolin; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 758 - 761
• a: 15.9443 ± 0.0002 Å
• b: 19.3479 ± 0.0002 Å
• c: 22.8682 ± 0.0003 Å
• α: 90°
• β: 91.2956 ± 0.0005°
• γ: 90°
• Cell volume: 7052.78 ± 0.15 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.143
• 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