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Information card for entry 7206349
Preview
| Coordinates | 7206349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 N2 |
|---|---|
| Calculated formula | C25 H18 N2 |
| SMILES | c1ccc2C(c3ccccc3C#Cc3ccccc3)Nc3c(cccc3)n12 |
| 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 | 9.309 ± 0.005 Å |
| b | 28.239 ± 0.005 Å |
| c | 7.304 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 102.501 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1874.5 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
7206349.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. |
7206349.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206349.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206349.cif |
| 23715 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206348, 7206349 via cif-deposit CGI script. |
7206349.cif |
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