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Information card for entry 7053435
Preview
Coordinates | 7053435.cif |
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Original paper (by DOI) | HTML |
Common name | 2-fluoro-1,3-bis(perfluorophenyl)imidazolidine-4,5-dione |
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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 Å3 |
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 |
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structural data.