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Information card for entry 1520720
Preview
| Coordinates | 1520720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H31 Cl3 O2 |
|---|---|
| Calculated formula | C21 H31 Cl3 O2 |
| Title of publication | ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities. |
| Authors of publication | Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 7 |
| Pages of publication | 1635 - 1646 |
| a | 22.6971 ± 0.0004 Å |
| b | 11.6034 ± 0.0002 Å |
| c | 19.6097 ± 0.0006 Å |
| α | 90° |
| β | 124.027 ± 0.001° |
| γ | 90° |
| Cell volume | 4280.19 ± 0.18 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520720.cif |
| 152862 | 2015-08-05 | cif/ Updating files of 1520720, 1520721, 1520722 Original log message: Adding full bibliography for 1520720--1520722.cif. |
1520720.cif |
| 139886 | 2015-07-02 | cif/ Adding structures of 1520720 via cif-deposit CGI script. |
1520720.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.