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Information card for entry 7206557
Preview
| Coordinates | 7206557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H8 F10 N2 O2 |
|---|---|
| Calculated formula | C24 H8 F10 N2 O2 |
| SMILES | C(=C\c1ccc(/C=N/c2c(c(F)c(F)c(F)c2F)F)o1)/c1ccc(/C=N/c2c(c(F)c(F)c(F)c2F)F)o1 |
| Title of publication | Competition between π–π or furan–perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections |
| Authors of publication | Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5833 |
| a | 6.4323 ± 0.0009 Å |
| b | 7.278 ± 0.001 Å |
| c | 22.578 ± 0.004 Å |
| α | 90° |
| β | 93.06 ± 0.01° |
| γ | 90° |
| Cell volume | 1055.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206557.cif |
| 180396 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65. |
7206557.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206557.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206557.cif |
| 28014 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206556, 7206557, 7206558 via cif-deposit CGI script. |
7206557.cif |
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Users of the data should acknowledge the original authors of the
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