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Information card for entry 7206556
Preview
| Coordinates | 7206556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 N2 O |
|---|---|
| Calculated formula | C18 H14 N2 O |
| SMILES | c1c(/C=N/c2ccccc2)oc(c1)/C=N/c1ccccc1 |
| 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 | 31.93 ± 0.008 Å |
| b | 6.041 ± 0.002 Å |
| c | 7.424 ± 0.001 Å |
| α | 90° |
| β | 97.04 ± 0.01° |
| γ | 90° |
| Cell volume | 1421.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| 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. |
7206556.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. |
7206556.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206556.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206556.cif |
| 28014 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206556, 7206557, 7206558 via cif-deposit CGI script. |
7206556.cif |
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Users of the data should acknowledge the original authors of the
structural data.