Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518894
Preview
Coordinates | 1518894.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 O7 |
---|---|
Calculated formula | C18 H22 O7 |
SMILES | O1C(=O)[C@]2([C@@H](O)[C@H]3O[C@H]3[C@@]3(c4cc(=O)oc(c4C[C@@H]1[C@@H]23)CC)C)C.O |
Title of publication | Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I. |
Authors of publication | Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 4 |
Pages of publication | 827 - 835 |
a | 7.1335 ± 0.0001 Å |
b | 8.3601 ± 0.0001 Å |
c | 26.2049 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1562.78 ± 0.04 Å3 |
Cell temperature | 99.9 ± 0.14 K |
Ambient diffraction temperature | 99.9 ± 0.14 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 | 0.034 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.0834 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1518894.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.