Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133543
Preview
| Coordinates | 4133543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H38 O6 Si |
|---|---|
| Calculated formula | C25 H38 O6 Si |
| SMILES | [Si](CCOC(=O)[C@]1(CC[C@H]2C[C@]2(C1=O)[C@]1(O)C(=C[C@](CC1)(C=C)C)C(=O)CO)C)(C)(C)C |
| Title of publication | Synthesis of Myrocin G, the Putative Active Form of the Myrocin Antitumor Antibiotics. |
| Authors of publication | Economou, Christos; Tomanik, Martin; Herzon, Seth B. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 47 |
| Pages of publication | 16058 - 16061 |
| a | 6.608 ± 0.0003 Å |
| b | 9.8783 ± 0.0004 Å |
| c | 38.8492 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2535.91 ± 0.18 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243300 (current) | 2019-11-26 | cif/ Adding structures of 4133543 via cif-deposit CGI script. |
4133543.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.