Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028983
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4028983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 O6 |
---|---|
Calculated formula | C20 H30 O6 |
SMILES | O1[C@H]([C@H](O)[C@@](O)(CCC[C@H](C2=CC(=O)C(O2)(C)C)C)C)CC(=CC1=O)C |
Title of publication | Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant. |
Authors of publication | Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 2 |
Pages of publication | 599 - 607 |
a | 5.84 ± 0.0001 Å |
b | 9.7694 ± 0.0001 Å |
c | 17.7381 ± 0.0002 Å |
α | 90° |
β | 90.395 ± 0.001° |
γ | 90° |
Cell volume | 1011.99 ± 0.02 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0438 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4028983.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.