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Information card for entry 7053588
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| Coordinates | 7053588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans-2,3,4,5,6-pentafluoro-4'-dimethylamino-stilbene |
|---|---|
| Chemical name | trans-2,3,4,5,6-pentafluoro-4'-dimethylamino-stilbene |
| Formula | C16 H12 F5 N |
| Calculated formula | C16 H12 F5 N |
| SMILES | Fc1c(c(F)c(F)c(F)c1F)/C=C/c1ccc(N(C)C)cc1 |
| Title of publication | Novel fluorinated amino-stilbenes and their solid-state photodimerization |
| Authors of publication | Papagni, Antonio; Buttero, Paola Del; Bertarelli, Chiara; Miozzo, Luciano; Moret, Massimo; Pryce, Mary T.; Rizzato, Silvia |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2010 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2612 |
| a | 6.3683 ± 0.0004 Å |
| b | 30.029 ± 0.002 Å |
| c | 7.2921 ± 0.0005 Å |
| α | 90° |
| β | 95.933 ± 0.002° |
| γ | 90° |
| Cell volume | 1387.03 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053588.cif |
| 180089 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35. |
7053588.cif |
| 93729 | 2014-01-13 | cif/ Adding structures of 7053588 via cif-deposit CGI script. |
7053588.cif |
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Users of the data should acknowledge the original authors of the
structural data.