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Information card for entry 1557145
Preview
| Coordinates | 1557145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 N O4 P |
|---|---|
| Calculated formula | C28 H26 N O4 P |
| SMILES | c1ccc2c3c1ccc1c3c(cc2)c(cc1)C(=O)NC(P(=O)(OCC)OCC)c1ccccc1 |
| Title of publication | Mechanofluorochromism of pyrene-derived amidophosphonates. |
| Authors of publication | Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2020 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 229 - 234 |
| a | 9.7414 ± 0.0005 Å |
| b | 10.2898 ± 0.0005 Å |
| c | 13.4571 ± 0.0006 Å |
| α | 110.284 ± 0.001° |
| β | 109.513 ± 0.001° |
| γ | 90.732 ± 0.001° |
| Cell volume | 1179.9 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557145.cif |
| 249051 | 2020-03-05 | cif/ Updating files of 1557143, 1557144, 1557145 Original log message: Adding full bibliography for 1557143--1557145.cif. |
1557145.cif |
| 247182 | 2020-01-24 | cif/ Adding structures of 1557143, 1557144, 1557145 via cif-deposit CGI script. |
1557145.cif |
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Users of the data should acknowledge the original authors of the
structural data.