Information card for entry 7129290

Structure parameters

• Formula: C50 H42 Cl4 Si2
• Calculated formula: C50 H42 Cl4 Si2
• Title of publication: Si-containing Polycyclic Aromatic Hydrocarbons: Synthesis and Opto-electronic Properties
• Authors of publication: Delouche, Thomas; Taifour, Ghizlene; Cordier, Marie; Roisnel, Thierry; Tondelier, Denis -; Manzhi, Payal; Geffroy, Bernard; Le Guennic, Boris; Jacquemin, Denis; Hissler, Muriel -; Bouit, Pierre-Antoine
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 14.192 ± 0.002 Å
• b: 8.8346 ± 0.0014 Å
• c: 17.444 ± 0.002 Å
• α: 90°
• β: 96.424 ± 0.006°
• γ: 90°
• Cell volume: 2173.4 ± 0.5 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 all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No