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Information card for entry 7051109
Preview
| Coordinates | 7051109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H44 N7 Na O14 |
|---|---|
| Calculated formula | C48 H29 N4 Na O8 |
| SMILES | [nH]1c2=C(c3nc(=C(c4[nH]c(C(=c5nc(C(=c1cc2)c1ccc(cc1)C(=O)O)cc5)c1ccc(cc1)C(=O)[O-])cc4)c1ccc(cc1)C(=O)O)cc3)c1ccc(cc1)C(=O)O.[Na+] |
| Authors of publication | Diskin-Posner, Yael; Goldberg, I. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2001 |
| Journal volume | 25 |
| Journal issue | 7 |
| Pages of publication | 899 - 904 |
| a | 17.626 ± 0.0006 Å |
| b | 18.719 ± 0.0005 Å |
| c | 19.882 ± 0.0005 Å |
| α | 115.972 ± 0.0015° |
| β | 94.19 ± 0.0017° |
| γ | 104.525 ± 0.0016° |
| Cell volume | 5581.4 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| 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 |
|---|---|---|---|
| 301442 (current) | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7051109.cif |
| 183806 | 2016-06-20 | cif/4-7: Fixing some wrong Z values. |
7051109.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7051109.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7051109.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7051109.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. |
7051109.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/' |
7051109.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7051109.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. |
7051109.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) |
7051109.cif |
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Users of the data should acknowledge the original authors of the
structural data.