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Information card for entry 7153845
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| Coordinates | 7153845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol |
|---|---|
| Formula | C17 H25 N5 O3 S |
| Calculated formula | C17 H25 N5 O3 S |
| Title of publication | Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization. |
| Authors of publication | Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 26 |
| Pages of publication | 4610 - 4619 |
| a | 8.4371 ± 0.0003 Å |
| b | 8.7423 ± 0.0003 Å |
| c | 14.5956 ± 0.0007 Å |
| α | 105.766 ± 0.003° |
| β | 98.497 ± 0.004° |
| γ | 99.551 ± 0.003° |
| Cell volume | 1000.39 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180324 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38. |
7153845.cif |
| 119502 | 2014-07-07 | cif/ Updating files of 7153845 Original log message: Adding full bibliography for 7153845.cif. |
7153845.cif |
| 114360 | 2014-05-23 | cif/ Adding structures of 7153845 via cif-deposit CGI script. |
7153845.cif |
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Users of the data should acknowledge the original authors of the
structural data.