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Information card for entry 1543036
Preview
| Coordinates | 1543036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H14 N O2.5 |
|---|---|
| Calculated formula | C10 H14 N O2.5 |
| SMILES | n12c(ccc2C)C(=O)C[C@H](O)[C@H]1C.O |
| Title of publication | Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells. |
| Authors of publication | Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 1816 - 1819 |
| a | 7.9708 ± 0.0004 Å |
| b | 10.4075 ± 0.0006 Å |
| c | 11.9312 ± 0.0007 Å |
| α | 90° |
| β | 95.083 ± 0.002° |
| γ | 90° |
| Cell volume | 985.87 ± 0.1 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543036.cif |
| 182528 | 2016-05-04 | cif/ Updating files of 1543035, 1543036 Original log message: Adding full bibliography for 1543035--1543036.cif. |
1543036.cif |
| 182022 | 2016-04-12 | cif/1 Fixing some Z values and formulae |
1543036.cif |
| 181817 | 2016-04-06 | cif/ Adding structures of 1543036 via cif-deposit CGI script. |
1543036.cif |
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Users of the data should acknowledge the original authors of the
structural data.