Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519133
Preview
| Coordinates | 1519133.cif |
|---|
| Formula | C14 H24 O4 |
|---|---|
| Calculated formula | C14 H24 O4 |
| SMILES | O1CC(=O)CCCCC(OC)CCCCCC1=O |
| Title of publication | (8S)-8-methoxyoxacyclotetradecane-2,13-dione |
| Authors of publication | McCullough, Kevin J.; Hursthouse, Michael B.; Coles, Simon J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1993 |
| Pages of publication | 1192 |
| a | 8.91 ± 0.006 Å |
| b | 27.07 ± 0.03 Å |
| c | 5.947 ± 0.007 Å |
| α | 90° |
| β | 101.01 ± 0.16° |
| γ | 90° |
| Cell volume | 1408 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.584 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1519133.cif |
| 135436 | 2015-04-30 | cif/ Adding structures of 1519133 via cif-deposit CGI script. |
1519133.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.