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Information card for entry 1557328
Preview
| Coordinates | 1557328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 O4 |
|---|---|
| Calculated formula | C15 H16 N2 O4 |
| SMILES | O=C1N2[C@H](C(=O)Nc3c1cc(OC)c(O)c3)CC(=C\C)/C2 |
| Title of publication | Total Synthesis of (+)-Oxo-tomaymycin |
| Authors of publication | Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2020 |
| a | 6.9821 ± 0.0002 Å |
| b | 8.6527 ± 0.0003 Å |
| c | 11.9259 ± 0.0003 Å |
| α | 90° |
| β | 105.761 ± 0.001° |
| γ | 90° |
| Cell volume | 693.4 ± 0.04 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248246 (current) | 2020-02-18 | cif/ Adding structures of 1557328 via cif-deposit CGI script. |
1557328.cif |
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Users of the data should acknowledge the original authors of the
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