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Information card for entry 5000164
Preview
| Coordinates | 5000164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H8 O2 |
|---|---|
| Calculated formula | C8 H16 O4 |
| Title of publication | A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane |
| Authors of publication | Koritsanszky, T.; Strumpel, M. K.; Buschmann, J.; Luger, P.; Hansen, N. K.; Pichon-Pesme, V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1991 |
| Journal volume | 113 |
| Journal issue | 24 |
| Pages of publication | 9148 - 9154 |
| a | 5.715 ± 0.002 Å |
| b | 6.458 ± 0.002 Å |
| c | 6.131 ± 0.002 Å |
| α | 90° |
| β | 99.89 ± 0.03° |
| γ | 90° |
| Cell volume | 222.92 Å3 |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
5000164.cif |
| 175371 | 2016-02-01 | cif/5/00/ (antanas@echidna.ibt.lt) Updating bibliography for entries 5000178, 5000194, 5000126, 5000164, 5000139. |
5000164.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000164.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. |
5000164.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. |
5000164.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/' |
5000164.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000164.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. |
5000164.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) |
5000164.cif |
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Users of the data should acknowledge the original authors of the
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