Information card for entry 4083599

Structure parameters

• Common name: 2,4,6-tris(pentafluorophenyl)-1-nitro-benzene
• Chemical name: N,N-dioxo-2,4,6-tris(pentafluorophenyl)anilinium
• Formula: C24 H2 F15 N O2
• Calculated formula: C24 H2 F15 N O2
• SMILES: c1(c(cc(cc1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)N(=O)=O
• Title of publication: Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis
• Authors of publication: Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3012
• a: 10.759 ± 0.012 Å
• b: 11.174 ± 0.013 Å
• c: 11.767 ± 0.013 Å
• α: 105.087 ± 0.019°
• β: 102.28 ± 0.019°
• γ: 118.293 ± 0.018°
• Cell volume: 1105 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.1097
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No