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Information card for entry 4100768
Preview
| Coordinates | 4100768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H43 N8 O10 P Zn2 |
|---|---|
| Calculated formula | C46 H41 N7 O7 P Zn2 |
| SMILES | [Zn]123(OP(=O)(Oc4ccccc4)O[Zn]45[N](Cc6cccc7cc8cccc(C[N]1(Cc1[n]3cccc1)Cc1[n]2cccc1)c8cc67)(Cc1[n]4cccc1)Cc1[n]5cccc1)ON(=O)=O |
| Title of publication | Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors |
| Authors of publication | Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 2454 - 2463 |
| a | 12.807 ± 0.002 Å |
| b | 15.541 ± 0.002 Å |
| c | 12.621 ± 0.001 Å |
| α | 109.209 ± 0.004° |
| β | 109.749 ± 0.005° |
| γ | 80.477 ± 0.005° |
| Cell volume | 2228.5 ± 0.4 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 6 |
| 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 |
|---|---|---|---|
| 277856 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4100768.cif |
| 277855 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4100768.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4100768.cif |
| 64641 | 2012-08-21 | cif/4 Completing bibliographic data for a set of JACS-2004 entries |
4100768.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100768.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. |
4100768.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/' |
4100768.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100768.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. |
4100768.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) |
4100768.cif |
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Users of the data should acknowledge the original authors of the
structural data.