Information card for entry 8000200

Structure parameters

• Formula: C14 H3 F7 O2
• Calculated formula: C14 H3 F7 O2
• SMILES: c12c(C(=O)c3c1c(c(c(c3F)F)F)F)c(c(c(c2F)F)F)OC
• Title of publication: Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
• Authors of publication: Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
• Journal of publication: The Journal of Physical Chemistry Letters
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1560
• a: 4.4782 ± 0.0004 Å
• b: 11.8813 ± 0.001 Å
• c: 21.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No