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Information card for entry 1520557
Preview
| Coordinates | 1520557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ag tosylate DEPN |
|---|---|
| Chemical name | Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene |
| Formula | C62 H50 Ag2 N4 O6 S2 |
| Calculated formula | C62 H50 Ag2 N4 O6 S2 |
| SMILES | [Ag]123[O]([Ag]([O]1S(=O)(=O)c1ccc(cc1)C)([n]1ccc(cc1)/C=C/c1cccc4c1c(/C=C/c1cc[n]3cc1)ccc4)[n]1ccc(cc1)/C=C/c1c3c(/C=C/c4cc[n]2cc4)cccc3ccc1)S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly. |
| Authors of publication | Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 13 |
| Pages of publication | 3233 - 3235 |
| a | 14.33 ± 0.0015 Å |
| b | 10.8862 ± 0.0011 Å |
| c | 17.8919 ± 0.0018 Å |
| α | 90° |
| β | 110.048 ± 0.005° |
| γ | 90° |
| Cell volume | 2622 ± 0.5 Å3 |
| Cell temperature | 190 K |
| Ambient diffraction temperature | 190 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520557.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520557.cif |
| 152906 | 2015-08-05 | cif/ Updating files of 1520555, 1520556, 1520557, 1520558, 1520559, 1520560 Original log message: Adding full bibliography for 1520555--1520560.cif. |
1520557.cif |
| 139308 | 2015-06-18 | cif/ Adding structures of 1520555, 1520556, 1520557, 1520558, 1520559, 1520560 via cif-deposit CGI script. |
1520557.cif |
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Users of the data should acknowledge the original authors of the
structural data.