Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540688
Preview
Coordinates | 1540688.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H26 O4 |
---|---|
Calculated formula | C15 H26 O4 |
SMILES | O[C@@H]1/C(=C\CC(C)([C@@H]2O[C@H]2C[C@]2(O[C@@H]2C1)C)C)C.O |
Title of publication | Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. |
Authors of publication | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 12 |
Pages of publication | 3058 - 3066 |
a | 8.28899 ± 0.00019 Å |
b | 11.8587 ± 0.0002 Å |
c | 15.3047 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1504.4 ± 0.05 Å3 |
Cell temperature | 98.8 K |
Ambient diffraction temperature | 98.8 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 | 0.0359 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.5418 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/1540688.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.