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Information card for entry 7151926
Preview
| Coordinates | 7151926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Triazolo-pyrazine |
|---|---|
| Formula | C18 H15 F3 N4 |
| Calculated formula | C18 H15 F3 N4 |
| SMILES | c1(c2c3CN[C@@H](Cn3nn2)c2ccccc2)ccc(cc1)C(F)(F)F |
| Title of publication | A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues. |
| Authors of publication | Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 16 |
| Pages of publication | 5856 - 5862 |
| a | 7.9258 ± 0.0004 Å |
| b | 16.4316 ± 0.0008 Å |
| c | 12.9933 ± 0.0006 Å |
| α | 90° |
| β | 105.595 ± 0.002° |
| γ | 90° |
| Cell volume | 1629.87 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1039 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.2102 |
| Weighted residual factors for all reflections included in the refinement | 0.2271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151926.cif |
| 180305 | 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 7/15/19. |
7151926.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151926.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151926.cif |
| 23739 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7151925, 7151926 via cif-deposit CGI script. |
7151926.cif |
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