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Information card for entry 5000202
Preview
| Coordinates | 5000202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 O3 |
|---|---|
| Calculated formula | C6 H6 O3 |
| Title of publication | Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol) |
| Authors of publication | Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2917 - 2920 |
| a | 7.134 ± 0.001 Å |
| b | 12.152 ± 0.002 Å |
| c | 13.304 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1153.36 Å3 |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Duplicate of | 2005587 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175355 (current) | 2016-02-01 | cif/ (antanas@echidna.ibt.lt) Updating bibliography for entries 2005587, 5000202 and marking entry 5000202 as a duplicate of entry 2005587. |
5000202.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000202.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000202.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. |
5000202.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/' |
5000202.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000202.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. |
5000202.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) |
5000202.cif |
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Users of the data should acknowledge the original authors of the
structural data.