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Information card for entry 4037802
Preview
| Coordinates | 4037802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H53 N3 O5 |
|---|---|
| Calculated formula | C28 H53 N3 O5 |
| SMILES | O=C(N(CC(=O)N(CC(=O)OC(C)(C)C)[C@H](C(C)(C)C)C)[C@@H](C)C(C)(C)C)CN(C(C)(C)C)C(=O)C |
| Title of publication | Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers. |
| Authors of publication | Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 9.795 Å |
| b | 9.845 Å |
| c | 10.769 Å |
| α | 88.79° |
| β | 63.77° |
| γ | 60.84° |
| Cell volume | 788.074 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246785 (current) | 2020-01-14 | cif/ Adding structures of 4037802, 4037803 via cif-deposit CGI script. |
4037802.cif |
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Users of the data should acknowledge the original authors of the
structural data.