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Information card for entry 1554990
Preview
| Coordinates | 1554990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 N O4 S |
|---|---|
| Calculated formula | C15 H13 N O4 S |
| SMILES | s1c([C@H]([C@@H]2C(=O)Oc3c(cccc3)C2)CN(=O)=O)ccc1 |
| Title of publication | Open-close: an alternative strategy to α-functionalization of lactone via enamine catalysis in one pot under mild conditions. |
| Authors of publication | Liu, Yan-Kai; Li, Zhi-Long; Li, Ji-Yao; Feng, Huan-Xi; Tong, Zhi-Ping |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 2022 - 2025 |
| a | 8.1609 ± 0.0013 Å |
| b | 9.0398 ± 0.0014 Å |
| c | 19.318 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1425.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0846 |
| Residual factor for significantly intense reflections | 0.0806 |
| Weighted residual factors for significantly intense reflections | 0.2376 |
| Weighted residual factors for all reflections included in the refinement | 0.2429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238256 (current) | 2019-11-24 | cif/ Adding structures of 1554990 via cif-deposit CGI script. |
1554990.cif |
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Users of the data should acknowledge the original authors of the
structural data.