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Information card for entry 1518652
Preview
| Coordinates | 1518652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H38 N2 O7 |
|---|---|
| Calculated formula | C30 H38 N2 O7 |
| SMILES | O=C([C@H]1[C@@H]2CC(=O)[C@@]34[C@H]([C@@H](NC4=O)Cc4c5ccccc5[nH]c4)[C@@H]([C@]4(O[C@H]4[C@@H]3[C@@H](OO)[C@@H]2C[C@@H]1C)C)C)C.O |
| Title of publication | Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum. |
| Authors of publication | Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 3 |
| Pages of publication | 644 - 647 |
| a | 11.3323 ± 0.0004 Å |
| b | 8.5548 ± 0.0003 Å |
| c | 14.1288 ± 0.0005 Å |
| α | 90° |
| β | 92.453 ± 0.001° |
| γ | 90° |
| Cell volume | 1368.47 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1518652.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518652.cif |
| 133005 | 2015-03-04 | cif/ Updating files of 1518652, 1518653 Original log message: Adding full bibliography for 1518652--1518653.cif. |
1518652.cif |
| 130875 | 2015-02-04 | cif/ Adding structures of 1518652 via cif-deposit CGI script. |
1518652.cif |
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