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Information card for entry 1552482
Preview
| Coordinates | 1552482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H29 N3 O4 |
|---|---|
| Calculated formula | C26 H29 N3 O4 |
| SMILES | c12ccc3[C@@]4(C([C@@H]5C[C@]67CCCN6C(=O)[C@]5(NC7=O)C4)(C)C)C(=O)Nc3c2C=CC(O1)(C)C |
| Title of publication | Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L. |
| Authors of publication | Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo |
| Journal of publication | Journal of agricultural and food chemistry |
| Year of publication | 2019 |
| Journal volume | 67 |
| Journal issue | 43 |
| Pages of publication | 11994 - 12001 |
| a | 7.144 ± 0.0002 Å |
| b | 17.6831 ± 0.0005 Å |
| c | 18.5462 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2342.91 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1552482.cif |
| 223213 | 2019-11-04 | cif/ Updating files of 1552482 Original log message: Adding full bibliography for 1552482.cif. |
1552482.cif |
| 219586 | 2019-10-28 | cif/ Adding structures of 1552482 via cif-deposit CGI script. |
1552482.cif |
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Users of the data should acknowledge the original authors of the
structural data.