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Information card for entry 2312550
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| Coordinates | 2312550.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Isororidin A |
|---|---|
| Formula | C29 H40 O9 |
| Calculated formula | C29 H40 O9 |
| Title of publication | Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A. |
| Authors of publication | Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 8 |
| a | 9.2707 ± 0.0004 Å |
| b | 15.2236 ± 0.0006 Å |
| c | 20.0806 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2834 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293368 (current) | 2024-07-11 | cif/ Adding structures of 2312550, 2312551 via cif-deposit CGI script. |
2312550.cif |
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Users of the data should acknowledge the original authors of the
structural data.