Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121601
Preview
| Coordinates | 7121601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H42 O4 |
|---|---|
| Calculated formula | C32 H42 O4 |
| Title of publication | Synthetic studies on daphniglaucins. |
| Authors of publication | Qiu, Yuanyou; Zhong, Jiaxin; Du, Shan; Gao, Shuanhu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 44 |
| Pages of publication | 5554 - 5557 |
| a | 9.552 ± 0.003 Å |
| b | 13.723 ± 0.003 Å |
| c | 21.581 ± 0.006 Å |
| α | 100.389 ± 0.017° |
| β | 93.85 ± 0.02° |
| γ | 90.376 ± 0.019° |
| Cell volume | 2775.7 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1437 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121601.cif |
| 228033 | 2019-11-17 | cif/ Updating files of 7121599, 7121600, 7121601 Original log message: Adding full bibliography for 7121599--7121601.cif. |
7121601.cif |
| 207640 | 2018-05-03 | cif/ Adding structures of 7121599, 7121600, 7121601 via cif-deposit CGI script. |
7121601.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.