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Information card for entry 8101436
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| Coordinates | 8101436.cif |
|---|
| Formula | C19 H19 N3 O3 |
|---|---|
| Calculated formula | C19 H19 N3 O3 |
| SMILES | N1(C(=O)c2ccc3C(=O)N(N(c4ccc(C1=O)c2c34)C)C)C(CC)C |
| Title of publication | Crystal structure of N,N '-dimethyl-N ''-(1-methylpropyl)naphthalene-1 : 4,5-tricarboxylic-4,5-imide-1,8-hydrazame, C19H19N3O3 and of N,N '-dimethyl-N ''-(1-hexylheptyl)naphthalene-1 : 4,5-tricarboxylic-4,5-imide-1,8-hydrazame, C28H37N3O3, two naphthalene hydrazamimides |
| Authors of publication | Langhals, Heinz; Ismael, Rami; Polborn, Kurt |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 1 |
| Pages of publication | 35 - 37 |
| a | 7.215 ± 0.002 Å |
| b | 8.5552 ± 0.0011 Å |
| c | 13.694 ± 0.004 Å |
| α | 90.87 ± 0.02° |
| β | 96.28 ± 0.03° |
| γ | 108.41 ± 0.02° |
| Cell volume | 796 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2036 |
| 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. |
8101436.cif |
| 100395 | 2014-02-05 | cif/8/10/14/ (antanas@lokys.ibt.lt) Adding issue, volume and page numbers. Changing working title to the actual article title. |
8101436.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101436.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. |
8101436.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/' |
8101436.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101436.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. |
8101436.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) |
8101436.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.