Information card for entry 4129063

Structure parameters

• Formula: C44 H28 B2 F8
• Calculated formula: C44 H28 B2 F8
• Title of publication: Photo- and Thermal Interconversion of Multiconfigurational Strained Hydrocarbons Exhibiting Completely Switchable Oxidation to Stable Dicationic Dyes.
• Authors of publication: Ishigaki, Yusuke; Hayashi, Yuki; Suzuki, Takanori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.326 ± 0.002 Å
• b: 14.178 ± 0.003 Å
• c: 11.546 ± 0.002 Å
• α: 90°
• β: 99.37 ± 0.018°
• γ: 90°
• Cell volume: 1667.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No