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Information card for entry 7219860
Preview
| Coordinates | 7219860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,5,6-triphenyl-1H-imidazo[4,5-b]pyrazine |
|---|---|
| Formula | C23 H16 N4 |
| Calculated formula | C23 H20 N4 O2 |
| SMILES | O.O.n1c([nH]c2nc(c(nc12)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and characterization on novel fluorescent sensors for Pd2+/Pd0 with high selectivity |
| Authors of publication | Zi, You; Meng, Hua; Chu, Xue-Qiang; Xu, Xiao-Ping; Ji, Shun-Jun |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.0695 ± 0.0003 Å |
| b | 17.0159 ± 0.0005 Å |
| c | 17.3803 ± 0.0008 Å |
| α | 73.613 ± 0.004° |
| β | 80.876 ± 0.004° |
| γ | 88.514 ± 0.003° |
| Cell volume | 1980.05 ± 0.14 Å3 |
| Ambient diffraction temperature | 296 ± 4 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 | 0.0843 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180529 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/98. |
7219860.cif |
| 133890 | 2015-03-13 | cif/ Adding structures of 7219860 via cif-deposit CGI script. |
7219860.cif |
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Users of the data should acknowledge the original authors of the
structural data.