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Information card for entry 4511893
Preview
| Coordinates | 4511893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N3 O3 |
|---|---|
| Calculated formula | C19 H19 N3 O3 |
| SMILES | C1(=C([O-])CCCC1=O)c1c(c2ccccc2)[nH+]c2n1ccc(C)n2.O |
| Title of publication | Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives. |
| Authors of publication | Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 10 |
| Pages of publication | 535 - 542 |
| a | 8.7561 ± 0.0009 Å |
| b | 9.8293 ± 0.0008 Å |
| c | 10.7014 ± 0.0009 Å |
| α | 102.747 ± 0.007° |
| β | 100.48 ± 0.008° |
| γ | 106.662 ± 0.008° |
| Cell volume | 830.46 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179665 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18. |
4511893.cif |
| 126819 | 2014-11-11 | cif/ Updating files of 4511893, 4511894 Original log message: Adding full bibliography for 4511893--4511894.cif. |
4511893.cif |
| 122642 | 2014-08-31 | cif/ Adding structures of 4511893 via cif-deposit CGI script. |
4511893.cif |
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Users of the data should acknowledge the original authors of the
structural data.