Information card for entry 1576488

Structure parameters

• Formula: C44 H52 Si2
• Calculated formula: C44 H52 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: 6.957 ± 0.0008 Å
• b: 34.975 ± 0.004 Å
• c: 15.1996 ± 0.0014 Å
• α: 90°
• β: 95.349 ± 0.009°
• γ: 90°
• Cell volume: 3682.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1762
• Residual factor for significantly intense reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.3508
• Weighted residual factors for all reflections included in the refinement: 0.385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No