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Information card for entry 1534352
Preview
| Coordinates | 1534352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Boc-L-Leu-L-Cys(Me)-OMe |
|---|---|
| Formula | C16 H30 N2 O5 S |
| Calculated formula | C16 H30 N2 O5 S |
| SMILES | S(C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C(=O)OC)C |
| Title of publication | A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water. |
| Authors of publication | Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro |
| Journal of publication | Soft matter |
| Year of publication | 2015 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 238 - 245 |
| a | 5.08911 ± 0.00007 Å |
| b | 12.09583 ± 0.00013 Å |
| c | 32.4406 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1996.95 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| 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 |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534352.cif |
| 176211 | 2016-02-05 | cif/ Updating files of 1534351, 1534352 Original log message: Adding full bibliography for 1534351--1534352.cif. |
1534352.cif |
| 160996 | 2015-10-08 | cif/ Adding structures of 1534351, 1534352 via cif-deposit CGI script. |
1534352.cif |
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Users of the data should acknowledge the original authors of the
structural data.