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Information card for entry 1556575
Preview
| Coordinates | 1556575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H30 N4 O7 S |
|---|---|
| Calculated formula | C28 H30 N4 O7 S |
| SMILES | S(=O)(=O)(N1[C@@H]2N(c3c([C@@]42OC(=O)[C@@H](n2c(=O)c5c(nc2[C@@H](O)C(C)C)cccc5)C4)cccc3)C(=O)C1(C)C)C |
| Title of publication | Quinazoline-Containing Indole Alkaloids from the Marine-Derived Fungus <i>Aspergillus</i> sp. HNMF114. |
| Authors of publication | Kong, Fan-Dong; Zhang, Sheng-Liang; Zhou, Shuang-Qing; Ma, Qing-Yun; Xie, Qing-Yi; Chen, Jin-Ping; Li, Jiu-Hui; Zhou, Li-Man; Yuan, Jing-Zhe; Hu, Zhong; Dai, Hao-Fu; Huang, Xiao-Long; Zhao, You-Xing |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 12 |
| Pages of publication | 3456 - 3463 |
| a | 8.736 ± 0.00015 Å |
| b | 16.3578 ± 0.0003 Å |
| c | 18.2142 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2602.84 ± 0.08 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0318 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 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. |
1556575.cif |
| 246574 | 2020-01-04 | cif/ Updating files of 1556575 Original log message: Adding full bibliography for 1556575.cif. |
1556575.cif |
| 245135 | 2019-12-14 | cif/ Adding structures of 1556575 via cif-deposit CGI script. |
1556575.cif |
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Users of the data should acknowledge the original authors of the
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