Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206348
Preview
| Coordinates | 7206348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | pyrrolo(2,1-a)quinoxaline' |
|---|---|
| Formula | C25 H18 N2 |
| Calculated formula | C25 H18 N2 |
| SMILES | c1ccc2C3c4ccccc4C=C(c4ccccc4)N3c3ccccc3n12 |
| Title of publication | Highly efficient Ag(i)-catalyzed regioselective tandem synthesis of diversely substituted quinoxalines and benzimidazoles in water |
| Authors of publication | Rustagi, Vineeta; Aggarwal, Trapti; Verma, Akhilesh K. |
| Journal of publication | Green Chemistry |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 1640 |
| a | 8.8589 ± 0.0003 Å |
| b | 10.2068 ± 0.0004 Å |
| c | 11.4469 ± 0.0004 Å |
| α | 64.251 ± 0.004° |
| β | 84.5 ± 0.003° |
| γ | 74.527 ± 0.003° |
| Cell volume | 898.24 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7206348.cif |
| 180394 | 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 7/20/63. |
7206348.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206348.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206348.cif |
| 23715 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206348, 7206349 via cif-deposit CGI script. |
7206348.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.