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Information card for entry 1557144
Preview
| Coordinates | 1557144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H28 N O4 P |
|---|---|
| Calculated formula | C25 H28 N O4 P |
| SMILES | c1ccc2ccc3c4c2c1ccc4ccc3C(=O)NC(C(C)C)P(=O)(OCC)OCC |
| 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 | 26.8408 ± 0.0013 Å |
| b | 9.9974 ± 0.0005 Å |
| c | 17.4578 ± 0.0008 Å |
| α | 90° |
| β | 110.506 ± 0.001° |
| γ | 90° |
| Cell volume | 4387.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1557144.cif |
| 249051 | 2020-03-05 | cif/ Updating files of 1557143, 1557144, 1557145 Original log message: Adding full bibliography for 1557143--1557145.cif. |
1557144.cif |
| 247182 | 2020-01-24 | cif/ Adding structures of 1557143, 1557144, 1557145 via cif-deposit CGI script. |
1557144.cif |
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Users of the data should acknowledge the original authors of the
structural data.