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Information card for entry 1552626
Preview
| Coordinates | 1552626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H17 N O2 |
|---|---|
| Calculated formula | C21 H17 N O2 |
| SMILES | O1C2=C(c3ccccc3)C(=O)C=C(C2=NC1(C)C)c1ccccc1 |
| Title of publication | Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp. |
| Authors of publication | Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 5 |
| Pages of publication | 1114 - 1119 |
| a | 5.8252 ± 0.0006 Å |
| b | 13.451 ± 0.0015 Å |
| c | 20.651 ± 0.002 Å |
| α | 90° |
| β | 91.375 ± 0.003° |
| γ | 90° |
| Cell volume | 1617.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1423 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.2061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552626.cif |
| 222149 | 2019-11-04 | cif/ Adding structures of 1552626 via cif-deposit CGI script. |
1552626.cif |
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Users of the data should acknowledge the original authors of the
structural data.