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Information card for entry 7159852
Preview
| Coordinates | 7159852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,4,5-Trihydroxy-6-(hydroxymethyl)-1-(3-hydroxypropanoyl)piperidin-2-one |
|---|---|
| Formula | C9 H15 N O7 |
| Calculated formula | C9 H15 N O7 |
| Title of publication | Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams. |
| Authors of publication | Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 15 |
| Pages of publication | 2985 - 2991 |
| a | 5.16094 ± 0.00017 Å |
| b | 12.6912 ± 0.0004 Å |
| c | 8.2512 ± 0.0003 Å |
| α | 90° |
| β | 92.987 ± 0.003° |
| γ | 90° |
| Cell volume | 539.71 ± 0.03 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291691 (current) | 2024-05-05 | cif/ Updating files of 7159852 Original log message: Adding full bibliography for 7159852.cif. |
7159852.cif |
| 290572 | 2024-03-21 | cif/ Adding structures of 7159852 via cif-deposit CGI script. |
7159852.cif |
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Users of the data should acknowledge the original authors of the
structural data.