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Information card for entry 7050833
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| Coordinates | 7050833.cif |
|---|---|
| External links | PubChem |
| Chemical name | 4-amino-2,6-bis(pyrazol-1-ylmethyl)-5-(pyrazol-1-yl)pyrimidine |
|---|---|
| Formula | C30 H30 N18 |
| Calculated formula | C30 H30 N18 |
| Title of publication | Solvent-free synthesis and structural characterization of azolyl-substituted pyrimidines |
| Authors of publication | de la Hoz, A.; Blasco, H.; Diaz-Ortiz, A.; Elguero, J.; Foces-Foces, C.; Moreno, A.; Sanchez-Migallon, A.; Valiente, G. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2002 |
| a | 10.8607 ± 0.0013 Å |
| b | 25.535 ± 0.004 Å |
| c | 11.3399 ± 0.0012 Å |
| α | 90° |
| β | 89.301 ± 0.011° |
| γ | 90° |
| Cell volume | 3144.6 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7050833.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7050833.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7050833.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7050833.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7050833.cif |
| 811 | 2009-08-09 | 11 files with wrong chem form fixed. For file 4300965.cif, missing symops were added. For file 4300081.cif, a couple of minor syntax errors also fixed. For file 7050833.cif, wrong symops were also fixed. |
7050833.cif |
| 140 | 2008-02-23 | 15 CIFS corrected |
7050833.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7050833.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7050833.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7050833.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7050833.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.