Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553315
Preview
| Coordinates | 1553315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H26 O2 |
|---|---|
| Calculated formula | C15 H26 O2 |
| Title of publication | Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin. |
| Authors of publication | Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang |
| Journal of publication | Journal of natural products |
| Year of publication | 2018 |
| Journal volume | 81 |
| Journal issue | 9 |
| Pages of publication | 1919 - 1927 |
| a | 10.28 ± 0.002 Å |
| b | 15.493 ± 0.003 Å |
| c | 10.27 ± 0.002 Å |
| α | 90° |
| β | 119.71 ± 0.03° |
| γ | 90° |
| Cell volume | 1420.7 ± 0.6 Å3 |
| Cell temperature | 104 ± 2 K |
| Ambient diffraction temperature | 104 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.1853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234092 (current) | 2019-11-23 | cif/ Adding structures of 1553314, 1553315, 1553316, 1553317 via cif-deposit CGI script. |
1553315.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.