Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558881
Preview
Coordinates | 1558881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H31 Cl O5 |
---|---|
Calculated formula | C20 H31 Cl O5 |
SMILES | O=C(O)[C@]1(C)[C@@]2(O)[C@@]([C@H]3CC[C@@](O)(CCl)[C@@H](C=C)[C@@H]3CC2)(CC[C@H]1O)C |
Title of publication | Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. |
Authors of publication | Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 8 |
Pages of publication | 2528 - 2536 |
a | 7.617 ± 0.0002 Å |
b | 11.8104 ± 0.0003 Å |
c | 22.6071 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2033.73 ± 0.09 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 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 | 0.0487 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1558881.html
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.