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Information card for entry 1574997
Preview
| Coordinates | 1574997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N2 O5 |
|---|---|
| Calculated formula | C21 H20 N2 O5 |
| Title of publication | Structural Disorder as a Key to Photoprotection in Eumelanin Multimers |
| Authors of publication | Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 14.018 ± 0.003 Å |
| b | 17.554 ± 0.003 Å |
| c | 7.8113 ± 0.0015 Å |
| α | 90° |
| β | 104.941 ± 0.005° |
| γ | 90° |
| Cell volume | 1857.2 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1613 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300280 (current) | 2025-07-02 | cif/ Adding structures of 1574997 via cif-deposit CGI script. |
1574997.cif |
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Users of the data should acknowledge the original authors of the
structural data.