Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226574
Preview
| Coordinates | 7226574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H32 O6 |
|---|---|
| Calculated formula | C23 H32 O6 |
| SMILES | O=C1OC=C(C=C1)[C@@H]1[C@]2(CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@H]34)[C@@]32O[C@@H]3C1)C.O |
| Title of publication | Structures and inhibitory activity against breast cancer cells of new bufadienolides from the eggs of toad Bufo bufo gargarizans |
| Authors of publication | Zhang, Peng-Wei; Tian, Hai-Yan; Nie, Qiu-Lin; Wang, Lei; Zhou, Shi-Wen; Ye, Wen-Cai; Zhang, Dong-Mei; Jiang, Ren-Wang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.7367 ± 0.0005 Å |
| b | 11.1799 ± 0.0005 Å |
| c | 16.8458 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2022.09 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186623 (current) | 2016-09-17 | cif/ Adding structures of 7226573, 7226574 via cif-deposit CGI script. |
7226574.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.