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Information card for entry 7243743
Preview
| Coordinates | 7243743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 Fe O7 |
|---|---|
| Calculated formula | C15 H14 Fe O7 |
| Title of publication | ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates |
| Authors of publication | Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2021 |
| a | 7.1067 ± 0.0003 Å |
| b | 12.2043 ± 0.0005 Å |
| c | 9.3734 ± 0.0004 Å |
| α | 90° |
| β | 104.11 ± 0.002° |
| γ | 90° |
| Cell volume | 788.45 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269974 (current) | 2021-10-16 | cif/ Adding structures of 7243743, 7243744 via cif-deposit CGI script. |
7243743.cif |
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Users of the data should acknowledge the original authors of the
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