Information card for entry 7053435

Structure parameters

• Common name: 2-fluoro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione
• Chemical name: 2-fluoro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione
• Formula: C15 H F11 N2 O2
• Calculated formula: C15 H F11 N2 O2
• SMILES: C1(F)N(C(=O)C(=O)N1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons
• Authors of publication: Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1295
• a: 25.917 ± 0.002 Å
• b: 9.789 ± 0.001 Å
• c: 6.04 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No