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Information card for entry 1517860
Preview
| Coordinates | 1517860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H16 Cl2 N2 O S2 |
|---|---|
| Calculated formula | C23 H16 Cl2 N2 O S2 |
| SMILES | c1(c(ccc2c1cccc2)O)c1nc(c(c2cc(Cl)sc2C)[nH]1)c1cc(Cl)sc1C |
| Title of publication | Chemical control of photochromism and a multiresponsive molecular switch based on a diarylethene derivative containing naphthol. |
| Authors of publication | Liu, Wenju; Li, Ziyong; Hu, Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2014 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 1773 - 1780 |
| a | 7.366 ± 0.004 Å |
| b | 8.121 ± 0.004 Å |
| c | 36.109 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2160 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0999 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517860.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517860.cif |
| 128427 | 2014-12-06 | cif/ Updating files of 1517860 Original log message: Adding full bibliography for 1517860.cif. |
1517860.cif |
| 124393 | 2014-09-30 | cif/ Adding structures of 1517860 via cif-deposit CGI script. |
1517860.cif |
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Users of the data should acknowledge the original authors of the
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