Information card for entry 1576486

Structure parameters

• Formula: C52 H56 Si2
• Calculated formula: C52 H56 Si2
• Title of publication: High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.
• Authors of publication: Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel
• Journal of publication: Chemical science
• Year of publication: 2026
• a: 29.5583 ± 0.0009 Å
• b: 7.7632 ± 0.0002 Å
• c: 37.7963 ± 0.0011 Å
• α: 90°
• β: 110.197 ± 0.003°
• γ: 90°
• Cell volume: 8139.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.81022 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No