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Information card for entry 2000072
Preview
| Coordinates | 2000072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Cl4 O2 |
|---|---|
| Calculated formula | C12 H10 Cl4 O2 |
| SMILES | CC1[C@H]2C(=O)C([C@H]2C=C[C@@H]2[C@H]1C(=O)C2(Cl)Cl)(Cl)Cl |
| Title of publication | (1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione |
| Authors of publication | Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1480 - 1481 |
| a | 10.32 ± 0.008 Å |
| b | 12.39 ± 0.004 Å |
| c | 11.219 ± 0.002 Å |
| α | 90° |
| β | 105.8 ± 0.04° |
| γ | 90° |
| Cell volume | 1380.32 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199666 (current) | 2017-08-09 | cif/2/00/00/ (antanas@kurmis) Updating bibliography in entries 2000038, 2000039, 2000040, 2000041, 2000042, 2000043, 2000045, 2000046, 2000051, 2000058, 2000060, 2000061, 2000062, 2000063, 2000065, 2000066, 2000069, 2000070, 2000071, 2000072, 2000073, 2000074. |
2000072.cif |
| 176759 | 2016-02-19 | cif/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/00. |
2000072.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000072.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. |
2000072.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. |
2000072.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/' |
2000072.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000072.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. |
2000072.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) |
2000072.cif |
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Users of the data should acknowledge the original authors of the
structural data.