Information card for entry 7134675

Structure parameters

• Formula: C111.05 H112.8 Cl11.07 O4 Si4
• Calculated formula: C111.046 H112.83 Cl11.082 O4 Si4
• Title of publication: Donor/acceptor-substituted radiaannulene segments of 6,6,12-graphyne
• Authors of publication: Krøll, Peter Lundgård; Strandfelt, Asger; Jokumsen, Maria Harbo; Nielsen, Mogens Brøndsted
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9416 - 9419
• a: 10.9872 ± 0.0006 Å
• b: 13.9513 ± 0.0007 Å
• c: 18.9119 ± 0.001 Å
• α: 72.067 ± 0.002°
• β: 86.454 ± 0.002°
• γ: 81.331 ± 0.002°
• Cell volume: 2726.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No