Information card for entry 7712283

Structure parameters

• Formula: C27 H17 F4 O P
• Calculated formula: C27 H17 F4 O P
• SMILES: P(c1c(F)c(F)c(F)c(F)c1/C=C/C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated Chalcone Skeletons and their PdX2 complexes. Metal-promoted Phosphorescence Enhancement
• Authors of publication: Ponce-de-León, Jaime; Peñas-Defrutos, Marconi N.; Vélez Blasco, Andrea; Aullon, Gabriel; Espinet, Pablo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.2385 ± 0.0006 Å
• b: 5.6909 ± 0.0004 Å
• c: 32.14 ± 0.0016 Å
• α: 90°
• β: 97.755 ± 0.005°
• γ: 90°
• Cell volume: 2218 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.0843
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No