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Information card for entry 1558936
Preview
| Coordinates | 1558936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 N3 O3 |
|---|---|
| Calculated formula | C24 H21 N3 O3 |
| SMILES | O=C1N(/C=C/c2ccccc2)[C@](OC)(n2c1cc1c(n(c3c1cccc3)C)c2=O)C |
| Title of publication | Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866 |
| Authors of publication | Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 6.30648 ± 0.00011 Å |
| b | 11.9372 ± 0.0002 Å |
| c | 26.4614 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1992.06 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255765 (current) | 2020-09-01 | cif/ Adding structures of 1558936 via cif-deposit CGI script. |
1558936.cif |
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Users of the data should acknowledge the original authors of the
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