Information card for entry 1553903

Structure parameters

• Formula: C24 H13 F
• Calculated formula: C24 H13 F
• SMILES: c12ccccc1c1c3cccc4cccc(c1c1ccc(F)cc21)c34
• Title of publication: Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation
• Authors of publication: Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 398
• a: 10.4684 ± 0.0007 Å
• b: 7.428 ± 0.0004 Å
• c: 18.7773 ± 0.0011 Å
• α: 90°
• β: 90.086 ± 0.003°
• γ: 90°
• Cell volume: 1460.11 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0962
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No