Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516605
Preview
| Coordinates | 1516605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H36 O5 |
|---|---|
| Calculated formula | C25 H36 O5 |
| SMILES | O1[C@@H]2CC[C@@H]3[C@]([C@]12C)(C[C@H](OC(=O)/C(=C\C)C)[C@H]([C@]3(CCC1=CC(=O)OC1)C)C)C |
| Title of publication | Diterpenes from the Endangered Goldenrod Solidago shortii. |
| Authors of publication | Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M. |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 1438 - 1444 |
| a | 13.9471 ± 0.0018 Å |
| b | 8.2238 ± 0.001 Å |
| c | 19.675 ± 0.002 Å |
| α | 90° |
| β | 93.918 ± 0.003° |
| γ | 90° |
| Cell volume | 2251.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0616 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
1516605.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516605.cif |
| 119166 | 2014-07-05 | cif/ Updating files of 1516605 Original log message: Adding full bibliography for 1516605.cif. |
1516605.cif |
| 116476 | 2014-06-13 | cif/ Adding structures of 1516605 via cif-deposit CGI script. |
1516605.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.