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Information card for entry 8100160
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| Coordinates | 8100160.cif |
|---|
| Formula | C20 H20 Cl N3 O5 S |
|---|---|
| Calculated formula | C20 H20 Cl N3 O5 S |
| SMILES | Clc1ccc(S(=O)(=O)NCCN2O[C@H]3[C@@H]([C@@H]2c2ccccc2)C(=O)N(C3=O)C)cc1.Clc1ccc(S(=O)(=O)NCCN2O[C@@H]3[C@H]([C@H]2c2ccccc2)C(=O)N(C3=O)C)cc1 |
| Title of publication | Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro- pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, C~20~H~20~ClN~3~O~5~S |
| Authors of publication | Dondas, H. Ali; Arslan, Hakan; Thornton-Pett, Mark |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 4 |
| Pages of publication | 363 - 364 |
| a | 39.856 ± 0.004 Å |
| b | 19.0577 ± 0.0012 Å |
| c | 10.5849 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8039.8 ± 1.2 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1726 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8100160.cif |
| 107867 | 2014-03-22 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100160.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100160.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. |
8100160.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/' |
8100160.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100160.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. |
8100160.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) |
8100160.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.