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Information card for entry 1000021
Preview
| Coordinates | 1000021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one |
|---|---|
| Formula | C13 H15 N O4 S |
| Calculated formula | C13 H15 N O4 S |
| Title of publication | Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides |
| Authors of publication | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | 1454 - 1456 |
| a | 19.967 ± 0.002 Å |
| b | 7.5484 ± 0.0009 Å |
| c | 9.1666 ± 0.0013 Å |
| α | 90° |
| β | 102.967 ± 0.011° |
| γ | 90° |
| Cell volume | 1346.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 2012368 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1000021.cif |
| 125874 | 2014-10-25 | cod/ (saulius@kolibris) Adding DOIs to 358 Acta Cryst. C CIFs, found using ISSN, volume and first page. |
1000021.cif |
| 112051 | 2014-04-29 | cif/ (saulius@koala.ibt.lt) Updating data in the 2012368 entry from the published source and marking entry 1000021 as its duplicate. |
1000021.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000021.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
1000021.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. |
1000021.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. |
1000021.cif |
| 30 | 2008-01-27 | Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates. |
1000021.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000021.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. |
1000021.cif |
| 11 | 2008-01-11 | Adding splitted COD CIFs that contained mupltiple structures and mupltiple entries in the COD database. Now each file contains exactely one structure; new files were created and assigned COD numbers as necessary. There still may be more CIF files that contain mupltiple structures but which were not reflected in the COD MySQL table 'data'; |
1000021.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) |
1000021.cif |
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Users of the data should acknowledge the original authors of the
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