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Information card for entry 2014529
Preview
| Coordinates | 2014529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H21 Cl N2 O5 |
|---|---|
| Calculated formula | C20 H21 Cl N2 O5 |
| SMILES | Clc1c(C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C(=O)OC)cc(N(=O)=O)cc1 |
| Title of publication | Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate |
| Authors of publication | Linden, Anthony; Şafak, Cihat; Aydın, Fırat |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o711 - o713 |
| a | 14.8737 ± 0.0002 Å |
| b | 14.3865 ± 0.0002 Å |
| c | 17.6287 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3772.2 ± 0.1 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2014529.cif |
| 277834 | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2014529.cif |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2014529.cif |
| 200784 | 2017-09-12 | cif/2/01/ Updating bibliography in entries 2014432, 2014433, 2014446, 2014473, 2014474, 2014475, 2014476, 2014487, 2014529. |
2014529.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2014529.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. |
2014529.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/' |
2014529.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2014529.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. |
2014529.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) |
2014529.cif |
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Users of the data should acknowledge the original authors of the
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