Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242204
Preview
| Coordinates | 2242204.cif |
|---|---|
| Structure factors | 2242204.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane |
|---|---|
| Formula | C13 H16 O4 |
| Calculated formula | C13 H16 O4 |
| Title of publication | Crystal structure of the diglycidyl ether of eugenol |
| Authors of publication | Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 694 - 697 |
| a | 9.8262 ± 0.0005 Å |
| b | 13.4434 ± 0.0007 Å |
| c | 9.4251 ± 0.0008 Å |
| α | 90° |
| β | 109.897 ± 0.002° |
| γ | 90° |
| Cell volume | 1170.71 ± 0.13 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242204.cif 2242204.hkl |
| 199172 | 2017-07-25 | cif/ hkl/ Adding structures of 2242204 via cif-deposit CGI script. |
2242204.cif 2242204.hkl |
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.