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Information card for entry 8101435
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| Coordinates | 8101435.cif |
|---|---|
| External links | ChemSpider |
| Formula | C28 H37 N3 O3 |
|---|---|
| Calculated formula | C28 H37 N3 O3 |
| SMILES | N1(C(=O)c2ccc3C(=O)N(N(c4ccc(C1=O)c2c34)C)C)C(CCCCCC)CCCCCC |
| Title of publication | Crystal structure of N,N'-dimethyl-N''-(1-methylpropyl)naphthalene- 1:4,5-tricarboxylic-4,5-imide-1,8-hydrazame, C~19~H~19~N~3~O~3~ and of N,N'-dimethyl-N''-(1-hexylheptyl)naphthalene-1:4,5-tricarboxylic- 4,5-imide-1,8-hydrazame, C~28~H~37~N~3~O~3~, 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 | 8.83 ± 0.002 Å |
| b | 9.253 ± 0.002 Å |
| c | 18.225 ± 0.003 Å |
| α | 81.14 ± 0.02° |
| β | 81.794 ± 0.015° |
| γ | 61.09 ± 0.02° |
| Cell volume | 1283.8 ± 0.5 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 | 0.1014 |
| Weighted residual factors for significantly intense reflections | 0.3935 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8101435.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101435.cif |
| 102498 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101435.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. |
8101435.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101435.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. |
8101435.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/' |
8101435.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101435.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. |
8101435.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) |
8101435.cif |
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Users of the data should acknowledge the original authors of the
structural data.