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Information card for entry 1520558
Preview
| Coordinates | 1520558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ag triflate DEPN |
|---|---|
| Chemical name | Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene |
| Formula | C50 H36 Ag2 F6 N4 O6 S2 |
| Calculated formula | C50 H36 Ag2 F6 N4 O6 S2 |
| SMILES | [Ag]1(OS(=O)(=O)C(F)(F)F)[n]2ccc(cc2)/C=C/c2c3c(/C=C/c4cc[n]([Ag](OS(=O)(=O)C(F)(F)F)[n]5ccc(cc5)/C=C/c5c6c(/C=C/c7cc[n]1cc7)cccc6ccc5)cc4)cccc3ccc2 |
| 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 | 10.3809 ± 0.0011 Å |
| b | 10.9748 ± 0.0011 Å |
| c | 11.0438 ± 0.0012 Å |
| α | 109.43 ± 0.005° |
| β | 98.185 ± 0.005° |
| γ | 97.328 ± 0.005° |
| Cell volume | 1153.7 ± 0.2 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| 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. |
1520558.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. |
1520558.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. |
1520558.cif |
| 139308 | 2015-06-18 | cif/ Adding structures of 1520555, 1520556, 1520557, 1520558, 1520559, 1520560 via cif-deposit CGI script. |
1520558.cif |
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Users of the data should acknowledge the original authors of the
structural data.