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Information card for entry 7155996
Preview
| Coordinates | 7155996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H34 N4 O5 |
|---|---|
| Calculated formula | C24 H34 N4 O5 |
| SMILES | C1(=O)C(CC(=O)NCc2ccc(cc2)OC)N(C(=O)N1C1(CCC1)C(=O)NCCCC)CC |
| Title of publication | Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics. |
| Authors of publication | Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 4 |
| Pages of publication | 521 - 525 |
| a | 7.7842 ± 0.0016 Å |
| b | 19.387 ± 0.004 Å |
| c | 8.315 ± 0.0017 Å |
| α | 90° |
| β | 106.96 ± 0.03° |
| γ | 90° |
| Cell volume | 1200.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1224 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155996.cif |
| 230704 | 2019-11-17 | cif/ Updating files of 7155995, 7155996 Original log message: Adding full bibliography for 7155995--7155996.cif. |
7155996.cif |
| 206489 | 2018-02-18 | cif/7 Fixing some Z values and formulae |
7155996.cif |
| 203676 | 2017-11-28 | cif/ Adding structures of 7155995, 7155996 via cif-deposit CGI script. |
7155996.cif |
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Users of the data should acknowledge the original authors of the
structural data.