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Information card for entry 7159946
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| Coordinates | 7159946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone |
|---|---|
| Chemical name | 3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone |
| Formula | C8 H12 O5 |
| Calculated formula | C8 H12 O5 |
| SMILES | O=C1O[C@H]2[C@H](O[C@@H]([C@@H]2O)[C@@H](O)C)C1 |
| Title of publication | First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C. |
| Authors of publication | Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 24 |
| Pages of publication | 4864 - 4867 |
| a | 5.37102 ± 0.00006 Å |
| b | 12.47818 ± 0.00012 Å |
| c | 26.7627 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1793.65 ± 0.03 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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 |
|---|---|---|---|
| 293231 (current) | 2024-07-05 | cif/ Updating files of 7159944, 7159945, 7159946, 7159947, 7159948 Original log message: Adding full bibliography for 7159944--7159948.cif. |
7159946.cif |
| 291810 | 2024-05-11 | cif/ Adding structures of 7159944, 7159945, 7159946, 7159947, 7159948 via cif-deposit CGI script. |
7159946.cif |
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Users of the data should acknowledge the original authors of the
structural data.