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Information card for entry 1512263
Preview
| Coordinates | 1512263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H38 N4 O7 S2 |
|---|---|
| Calculated formula | C23 H38 N4 O7 S2 |
| SMILES | S1SC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C1 |
| Title of publication | Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide |
| Authors of publication | Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa |
| Journal of publication | The Journal of Physical Chemistry B |
| Year of publication | 2013 |
| Journal volume | 117 |
| Journal issue | 37 |
| Pages of publication | 10785 |
| a | 16.1483 ± 0.0011 Å |
| b | 18.7091 ± 0.0012 Å |
| c | 18.8204 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5686 ± 0.6 Å3 |
| Number of distinct elements | 5 |
| 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 |
|---|---|---|---|
| 296166 (current) | 2024-11-29 | Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value. |
1512263.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512263.cif |
| 89045 | 2013-10-09 | cif/ Adding structures of 1512263 via cif-deposit CGI script. |
1512263.cif |
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Users of the data should acknowledge the original authors of the
structural data.