Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1559224
Preview
| Coordinates | 1559224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,3-Dichloro-4,5-dimethoxy-1-(2,3,4-trichloro-6-methoxyphenoxy)benzene |
|---|---|
| Formula | C15 H11 Cl5 O4 |
| Calculated formula | C15 Cl5 O4 |
| SMILES | Clc1c(Oc2c(Cl)c(Cl)c(OC)c(OC)c2)c(OC)cc(Cl)c1Cl |
| Title of publication | Crystal and Molecular Structure of 2,3-Dichloro-4,5-dimethoxy-1-(2,3,4-trichloro-6-methoxyphenoxy)benzene: a Derivative of the Oxidative Coupling Product of 4,5,6-Trichloroguaiacol |
| Authors of publication | Arnoldsson, K. C.; Eriksson, L. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 593 - 595 |
| a | 8.811 ± 0.004 Å |
| b | 8.41 ± 0.004 Å |
| c | 24.67 ± 0.01 Å |
| α | 90° |
| β | 99.91 ± 0.03° |
| γ | 90° |
| Cell volume | 1800.8 ± 1.4 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.89 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256858 (current) | 2020-09-30 | cif/ Adding structures of 1559224 via cif-deposit CGI script. |
1559224.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.