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Information card for entry 5000139
Preview
| Coordinates | 5000139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Oxytetracycline |
|---|---|
| Formula | C22 H24 N2 O9 |
| Calculated formula | C22 H24 N2 O9 |
| Title of publication | Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base |
| Authors of publication | Prewo, R.; Stezowski, J. J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1977 |
| Journal volume | 99 |
| Journal issue | 4 |
| Pages of publication | 1117 - 1121 |
| a | 8.836 ± 0.001 Å |
| b | 12.416 ± 0.001 Å |
| c | 18.76 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2058.12 Å3 |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 5.4 |
| Weighted residual factors for significantly intense reflections | 5.4 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187366 (current) | 2016-10-17 | cif/5/00/01/ Adding coordinates of the hydrogen atoms after consulting the supplementary material of the original publication. |
5000139.cif |
| 175371 | 2016-02-01 | cif/5/00/ (antanas@echidna.ibt.lt) Updating bibliography for entries 5000178, 5000194, 5000126, 5000164, 5000139. |
5000139.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000139.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
5000139.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000139.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. |
5000139.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/' |
5000139.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000139.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. |
5000139.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) |
5000139.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.