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Information card for entry 7100316
Preview
| Coordinates | 7100316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H28 N2 O5 |
|---|---|
| Calculated formula | C16 H28 N2 O5 |
| SMILES | C1(=O)[C@H](CCN1[C@@H](C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C |
| Title of publication | Conformational and spacial preferences for substrates of PepT1 |
| Authors of publication | P.Bailey; B.C.A.Richard; Ian D.Collier; George L.Kellett; D.Meredith; Keith M.Morgan; Rachel Pettecrew; Richard A.Price; Robin G.Pritcharda |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| a | 5.9045 ± 0.0001 Å |
| b | 16.7946 ± 0.0004 Å |
| c | 18.1015 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1795.01 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7100316.cif |
| 277870 | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
7100316.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7100316.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7100316.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7100316.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. |
7100316.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/' |
7100316.cif |
| 14 | 2008-01-13 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7100316.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. |
7100316.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) |
7100316.cif |
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Users of the data should acknowledge the original authors of the
structural data.