Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558448
Preview
| Coordinates | 1558448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O6 |
|---|---|
| Calculated formula | C20 H22 O6 |
| Title of publication | Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora |
| Authors of publication | Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 9.1387 ± 0.001 Å |
| b | 24.286 ± 0.003 Å |
| c | 38.773 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8605.4 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253576 (current) | 2020-07-01 | cif/ Adding structures of 1558448 via cif-deposit CGI script. |
1558448.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.