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Information card for entry 7239422
Preview
| Coordinates | 7239422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H31 Cl O9 |
|---|---|
| Calculated formula | C24 H31 Cl O9 |
| Title of publication | Fragilisinins A–L, new briarane-type diterpenoids from gorgonian Junceella fragilis |
| Authors of publication | Lei, Hui; Sun, Jian-Fan; Han, Zhuang; Zhou, Xue-Feng; Yang, Bin; Liu, Yonghong |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | 5261 |
| a | 15.585 ± 0.0007 Å |
| b | 17.9285 ± 0.0007 Å |
| c | 17.981 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5024.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239422.cif |
| 244696 | 2019-11-28 | cif/ Adding structures of 7239422 via cif-deposit CGI script. |
7239422.cif |
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Users of the data should acknowledge the original authors of the
structural data.