Information card for entry 7129289

Structure parameters

• Formula: C52 H50 O4 Si2
• Calculated formula: C52 H50 O4 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: 11.9542 ± 0.0016 Å
• b: 9.7509 ± 0.0012 Å
• c: 18.57 ± 0.002 Å
• α: 90°
• β: 106.22 ± 0.004°
• γ: 90°
• Cell volume: 2078.4 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No