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Information card for entry 1519612
Preview
| Coordinates | 1519612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Schizine A |
|---|---|
| Formula | C24 H25 N O5 |
| Calculated formula | C24 H25 N O5 |
| SMILES | C12=N[C@H](C(=O)O[C@H]1CC([C@@H]1CC=C3[C@H]4[C@@]21C(=O)O[C@H]4OC3)(C)C)Cc1ccccc1 |
| Title of publication | Iminolactones from Schizophyllum commune. |
| Authors of publication | Liu, Xuemei; Frydenvang, Karla; Liu, Huizhen; Zhai, Lin; Chen, Ming; Olsen, Carl Erik; Christensen, Søren Brøgger |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 5 |
| Pages of publication | 1165 - 1168 |
| a | 8.713 ± 0.0006 Å |
| b | 11.51 ± 0.0008 Å |
| c | 20.253 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2031.1 ± 0.2 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| 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 |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519612.cif |
| 138266 | 2015-06-05 | cif/ Updating files of 1519612 Original log message: Adding full bibliography for 1519612.cif. |
1519612.cif |
| 136301 | 2015-05-13 | cif/ Adding structures of 1519612 via cif-deposit CGI script. |
1519612.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.