Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312551
Preview
| Coordinates | 2312551.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical 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 | 9.302 ± 0.003 Å |
| b | 15.412 ± 0.006 Å |
| c | 20.191 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2894.6 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.2506 |
| Weighted residual factors for all reflections included in the refinement | 0.2653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.5418 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. |
2312551.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.