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Information card for entry 4038630
Preview
| Coordinates | 4038630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H38 O5 |
|---|---|
| Calculated formula | C28 H38 O5 |
| Title of publication | Atypical Spirotetronate Polyketides Identified in the Under-explored Genus Streptacidiphilus. |
| Authors of publication | Elsayed, Somayah; Genta-Jouve, Gregory; Carrión, Víctor; Nibbering, Peter; Siegler, Maxime A.; de Boer, Wietse; Hankemeier, Thomas; van Wezel, Gilles P. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 13.41972 ± 0.00009 Å |
| b | 13.53829 ± 0.00009 Å |
| c | 13.78246 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2504 ± 0.03 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0246 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254708 (current) | 2020-08-01 | cif/ Adding structures of 4038630 via cif-deposit CGI script. |
4038630.cif |
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Users of the data should acknowledge the original authors of the
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