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Information card for entry 7226399
Preview
| Coordinates | 7226399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | gymnastatin T |
|---|---|
| Formula | C24 H38 Br N O7 |
| Calculated formula | C24 H38 Br N O7 |
| SMILES | Br[C@]12[C@@H](O)[C@H](C[C@](O)([C@H]3O[C@H]3C1=O)[C@@H]2O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)C.CO |
| Title of publication | Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids |
| Authors of publication | Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 85 |
| Pages of publication | 81685 |
| a | 7.0251 ± 0.0003 Å |
| b | 11.3852 ± 0.0005 Å |
| c | 32.308 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2584.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226399.cif |
| 186084 | 2016-08-31 | cif/ Adding structures of 7226399 via cif-deposit CGI script. |
7226399.cif |
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Users of the data should acknowledge the original authors of the
structural data.