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Information card for entry 1529398
Preview
| Coordinates | 1529398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 N O6 |
|---|---|
| Calculated formula | C25 H23 N O6 |
| SMILES | O(C)c1cc2C(C3(C(=O)c4cc(OC)cc(C)c4C(=C3C(=O)c2c(OC)c1)O)C#N)(C)C |
| Title of publication | Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues. |
| Authors of publication | Huang, Jing-Kai; Yang Lauderdale, Tsai-Ling; Shia, Kak-Shan |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4248 - 4251 |
| a | 31.5153 ± 0.0016 Å |
| b | 8.7548 ± 0.0005 Å |
| c | 18.0436 ± 0.001 Å |
| α | 90° |
| β | 123.435 ± 0.001° |
| γ | 90° |
| Cell volume | 4154.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529398.cif |
| 154790 | 2015-09-06 | cif/ Updating files of 1529398 Original log message: Adding full bibliography for 1529398.cif. |
1529398.cif |
| 153448 | 2015-08-15 | cif/ Adding structures of 1529398 via cif-deposit CGI script. |
1529398.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.