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Information card for entry 4035543
Preview
| Coordinates | 4035543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H33 N3 O5 |
|---|---|
| Calculated formula | C27 H33 N3 O5 |
| SMILES | O=C1N2[C@@]3(C(=O)N[C@]41[C@@H](C([C@]1(C4)C(=O)Nc4c1cc1c(OC(C)(C)C=C1)c4)(C)C)C3)CCC2.OC |
| Title of publication | Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor. |
| Authors of publication | Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 15 |
| Pages of publication | 8483 - 8492 |
| a | 7.01728 ± 0.00018 Å |
| b | 8.2752 ± 0.0002 Å |
| c | 10.7566 ± 0.0003 Å |
| α | 93.959 ± 0.002° |
| β | 106.285 ± 0.002° |
| γ | 95.686 ± 0.002° |
| Cell volume | 593.54 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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 |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4035543.cif |
| 226991 | 2019-11-11 | cif/ Adding structures of 4035543 via cif-deposit CGI script. |
4035543.cif |
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Users of the data should acknowledge the original authors of the
structural data.