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Information card for entry 7127755
Preview
| Coordinates | 7127755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H44 F3 Fe N5 O5 S |
|---|---|
| Calculated formula | C27 H44 F3 Fe N5 O5 S |
| Title of publication | Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases. |
| Authors of publication | Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 92 |
| Pages of publication | 14369 - 14372 |
| a | 10.8333 ± 0.0008 Å |
| b | 12.2736 ± 0.0008 Å |
| c | 13.012 ± 0.0009 Å |
| α | 79.726 ± 0.002° |
| β | 74.064 ± 0.002° |
| γ | 81.746 ± 0.002° |
| Cell volume | 1628.8 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127755.cif |
| 260471 | 2021-01-04 | cif/ Adding structures of 7127754, 7127755, 7127756 via cif-deposit CGI script. |
7127755.cif |
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Users of the data should acknowledge the original authors of the
structural data.