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Information card for entry 2011489
Preview
| Coordinates | 2011489.cif |
|---|---|
| Structure factors | 2011489.hkl |
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | tetracycline hydrochloride |
|---|---|
| Chemical name | [(4S,4aS,5aS,6R,12aS)-2-aminohydroxymethylene-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxonaphthacen-4-yl]dimethylammonium chloride |
| Formula | C22 H25 Cl N2 O8 |
| Calculated formula | C22 H25 Cl N2 O8 |
| SMILES | [Cl-].Oc1cccc2[C@@](O)([C@H]3C[C@H]4[C@H]([NH+](C)C)C(=O)\C(=C(/O)N)C(=O)[C@@]4(O)C(=C3C(=O)c12)O)C |
| Title of publication | Tetracycline hydrochloride: a synchrotron micro-crystal study |
| Authors of publication | Clegg, William; Teat, Simon J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 11 |
| Pages of publication | 1343 - 1345 |
| a | 10.93 ± 0.0009 Å |
| b | 12.7162 ± 0.0011 Å |
| c | 15.7085 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2183.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.6883 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2011489.cif 2011489.hkl |
| 175277 | 2016-01-29 | cif/ hkl/ Adding hkl file for entry 2011489. |
2011489.cif 2011489.hkl |
| 175275 | 2016-01-29 | cif/2/01/ (antanas@echidna.ibt.lt) Adding additional information from the original publication for entry 2011489. |
2011489.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2011489.cif |
| 125874 | 2014-10-25 | cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page. |
2011489.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2011489.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. |
2011489.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/' |
2011489.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2011489.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. |
2011489.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) |
2011489.cif |
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Users of the data should acknowledge the original authors of the
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