Information card for entry 1554792

Structure parameters

• Formula: C24 H12 F6 Se
• Calculated formula: C24 H12 F6 Se
• SMILES: [se]1c2c(c3ccccc3c3cccc(c23)C(F)(F)F)cc1c1ccccc1C(F)(F)F
• Title of publication: Palladium-catalyzed successive C‒H bond arylations and annulations toward the π-extension of selenophene-containing aromatic skeletons
• Authors of publication: Shi, Xinzhe; Mao, Shuxin; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2398
• a: 12.234 ± 0.0011 Å
• b: 10.9831 ± 0.0011 Å
• c: 14.6454 ± 0.0014 Å
• α: 90°
• β: 111.492 ± 0.003°
• γ: 90°
• Cell volume: 1831 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0331
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0672
• 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