Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517950
Preview
| Coordinates | 1517950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H28 N2 O3 |
|---|---|
| Calculated formula | C21 H28 N2 O3 |
| SMILES | O1[C@@]2(C=Cc3n(c(C)cc3)[C@H]3[C@@H]2c2n([C@@H]([C@@H]13)C)c(cc2)C)[C@@H](O)C.OC |
| Title of publication | Curvulamine, a new antibacterial alkaloid incorporating two undescribed units from a curvularia species. |
| Authors of publication | Han, Wen Bo; Lu, Yan Hua; Zhang, Ai Hua; Zhang, Gao Fei; Mei, Ya Ning; Jiang, Nan; Lei, Xinxiang; Song, Yong Chun; Ng, Seik Weng; Tan, Ren Xiang |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 5366 - 5369 |
| a | 7.2482 ± 0.0001 Å |
| b | 13.3145 ± 0.0001 Å |
| c | 20.2206 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1951.41 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 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. |
1517950.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. |
1517950.cif |
| 127252 | 2014-11-12 | cif/ Updating files of 1517950 Original log message: Adding full bibliography for 1517950.cif. |
1517950.cif |
| 125047 | 2014-10-07 | cif/ Adding structures of 1517950 via cif-deposit CGI script. |
1517950.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.