Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556857
Preview
| Coordinates | 1556857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 O4 |
|---|---|
| Calculated formula | C32 H54 O4 |
| SMILES | CC(C)[C@]1(CO)OC[C@@H]([C@@H]2[C@@]3(C)CCC4=C(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)C3=C(C)C2)CC1.OC |
| Title of publication | Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata |
| Authors of publication | Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2019 |
| a | 6.2668 ± 0.0008 Å |
| b | 14.648 ± 0.003 Å |
| c | 31.434 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2885.5 ± 0.8 Å3 |
| Cell temperature | 106.7 K |
| Ambient diffraction temperature | 106.7 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246344 (current) | 2020-01-01 | cif/ Adding structures of 1556857 via cif-deposit CGI script. |
1556857.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.