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Information card for entry 8100128
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| Coordinates | 8100128.cif |
|---|
| Formula | C19 H24 N2 O6 |
|---|---|
| Calculated formula | C19 H24 N2 O6 |
| SMILES | O1[C@H](O[C@H](OC(=O)C)[C@@](NN2C(=O)c3ccccc3C2=O)(C1)C)C(C)(C)C.O1[C@@H](O[C@@H](OC(=O)C)[C@](NN2C(=O)c3ccccc3C2=O)(C1)C)C(C)(C)C |
| Title of publication | Crystal structure of 4-acetoxy-5-(amino-N-phthalimido)-2-tert-butyl- 5-methyl-1,3-dioxane, C~19~H~24~N~2~O~6~ |
| Authors of publication | Flock, Susanne; Sippel, Heike; Frauenrath, Herbert; Müller, Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 3 |
| Pages of publication | 283 - 284 |
| a | 5.922 ± 0.001 Å |
| b | 8.336 ± 0.001 Å |
| c | 19.864 ± 0.002 Å |
| α | 95.81 ± 0.01° |
| β | 96.6 ± 0.02° |
| γ | 100.1 ± 0.01° |
| Cell volume | 951.6 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
8100128.cif |
| 107141 | 2014-03-18 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100128.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100128.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. |
8100128.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/' |
8100128.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100128.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. |
8100128.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) |
8100128.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.