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Information card for entry 1513749
Preview
| Coordinates | 1513749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2004uv02cj02b |
|---|---|
| Formula | C26 H26 N2 O4 |
| Calculated formula | C26 H26 N2 O4 |
| SMILES | O=C([C@H](c1ccc2cc(ccc2c1)OC)C)N[C@@H](Cc1c2ccccc2[nH]c1)C(=O)OC |
| Title of publication | Photooxygenation mechanisms in naproxen-amino acid linked systems. |
| Authors of publication | Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A. |
| 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 | 2 |
| Pages of publication | 224 - 230 |
| a | 8.4099 ± 0.0002 Å |
| b | 5.3783 ± 0.0002 Å |
| c | 23.8999 ± 0.0007 Å |
| α | 90° |
| β | 100.092 ± 0.002° |
| γ | 90° |
| Cell volume | 1064.29 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1513749.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. |
1513749.cif |
| 105761 | 2014-03-12 | cif/ Adding structures of 1513749, 1513750, 1513751, 1513752, 1513753, 1513754 via cif-deposit CGI script. |
1513749.cif |
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Users of the data should acknowledge the original authors of the
structural data.