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Information card for entry 4036247
Preview
| Coordinates | 4036247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O8 |
|---|---|
| Calculated formula | C16 H22 O8 |
| SMILES | O[C@H]([C@H]1C=CC(=O)O[C@@H](C)[C@H](O)C=CC(=O)O[C@@H](C)CC(=O)O1)C |
| Title of publication | General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M. |
| Authors of publication | Häcker, Christine; Plietker, Bernd |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 16 |
| Pages of publication | 8055 - 8064 |
| a | 5.5897 ± 0.0004 Å |
| b | 16.686 ± 0.0011 Å |
| c | 9.1104 ± 0.0006 Å |
| α | 90° |
| β | 97.632 ± 0.003° |
| γ | 90° |
| Cell volume | 842.2 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234447 (current) | 2019-11-23 | cif/ Adding structures of 4036247 via cif-deposit CGI script. |
4036247.cif |
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Users of the data should acknowledge the original authors of the
structural data.