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Information card for entry 2300229
Preview
| Coordinates | 2300229.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | acetaminophen |
|---|---|
| Formula | C8 H9 N O2 |
| Calculated formula | C8 H9 N O2 |
| SMILES | CC(=O)Nc1ccc(cc1)O |
| Title of publication | Implementation and use of robust refinement in powder diffraction in the presence of impurities |
| Authors of publication | Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2009 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 385 - 391 |
| a | 12.88606 ± 0.00018 Å |
| b | 9.38115 ± 0.00012 Å |
| c | 7.10099 ± 0.0001 Å |
| α | 90° |
| β | 115.701 ± 0.0008° |
| γ | 90° |
| Cell volume | 773.484 ± 0.019 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Diffraction radiation wavelength | 0.698291 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209310 (current) | 2018-07-31 | cif/2/30/02/ Updating space group information in entries 2300229-2300245. |
2300229.cif |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300229.cif |
| 132084 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting of three or more '?' with a single '?'. |
2300229.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2300229.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2300229.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2300229.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. |
2300229.cif |
| 814 | 2009-09-04 | cif/ Adding depositions of the Acta-Cryst-B-2009_03/, Acta-Cryst-C-2009_06/, Acta-Cryst-E-2009_06/ and J-Appl-Cryst-2009_03 structures. |
2300229.cif |
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