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Information card for entry 7158151
Preview
| Coordinates | 7158151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N O7 S |
|---|---|
| Calculated formula | C14 H11 N O7 S |
| SMILES | S(=O)(=O)(Oc1c(O)c(N(=O)=O)ccc1C=O)c1ccc(cc1)C |
| Title of publication | Solid-phase synthesis of coralmycin A/<i>epi</i>-coralmycin A and desmethoxycoralmycin A. |
| Authors of publication | Hawkins, Paige M. E.; Liu, Dennis Y.; Linington, Roger G.; Payne, Richard J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 28 |
| Pages of publication | 6291 - 6300 |
| a | 10.61747 ± 0.00019 Å |
| b | 13.02984 ± 0.00015 Å |
| c | 10.52228 ± 0.00016 Å |
| α | 90° |
| β | 101.882 ± 0.0016° |
| γ | 90° |
| Cell volume | 1424.5 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268915 (current) | 2021-09-06 | cif/ Updating files of 7158151 Original log message: Adding full bibliography for 7158151.cif. |
7158151.cif |
| 266835 | 2021-07-01 | cif/ Adding structures of 7158151 via cif-deposit CGI script. |
7158151.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.