Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206453
Preview
| Coordinates | 7206453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H22 N2 O2 |
|---|---|
| Calculated formula | C25 H22 N2 O2 |
| SMILES | O1c2c(N3[C@@H]4N(c5ccccc5)C(=O)[C@H]([C@]13c1ccccc1)[C@H](C4)C)cccc2 |
| Title of publication | Multicomponent reactions in ionic liquids: convenient and ecocompatible access to the 2,6-DABCO core |
| Authors of publication | El Asri, Zhor; Génisson, Yves; Guillen, Frédéric; Baslé, Olivier; Isambert, Nicolas; del Mar Sanchez Duque, Maria; Ladeira, Sonia; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe |
| Journal of publication | Green Chemistry |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2549 |
| a | 6.4801 ± 0.0002 Å |
| b | 15.4593 ± 0.0008 Å |
| c | 19.1885 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1922.26 ± 0.15 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206453.cif |
| 180395 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64. |
7206453.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206453.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206453.cif |
| 27474 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7206453 via cif-deposit CGI script. |
7206453.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.