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Information card for entry 1556954
Preview
| Coordinates | 1556954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mesitylene-fluoranil |
|---|---|
| Formula | C15 H12 F4 O2 |
| Calculated formula | C15 F4 O2 |
| SMILES | C1(=C(C(=O)C(=C(C1=O)F)F)F)F.c1c(cc(C)cc1C)C |
| Title of publication | Crystal Structure of the 1:1 Complex Between Mesitylene and Fluoranil. Analysis of Stacking Interactions in Complexes Containing Fluoranil |
| Authors of publication | Dahl, Tor |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1998 |
| Journal volume | 52 |
| Pages of publication | 1006 - 1009 |
| a | 6.849 ± 0.002 Å |
| b | 13.452 ± 0.002 Å |
| c | 8.072 ± 0.002 Å |
| α | 90° |
| β | 103.95 ± 0.02° |
| γ | 90° |
| Cell volume | 721.8 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246633 (current) | 2020-01-10 | cif/ Adding structures of 1556954 via cif-deposit CGI script. |
1556954.cif |
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Users of the data should acknowledge the original authors of the
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