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Information card for entry 1564323
Preview
| Coordinates | 1564323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | peptide-Foldamer-hybrid |
|---|---|
| Formula | C58.25 H54.88 N15.62 O18.83 S3.02 |
| Calculated formula | C58.25 H54.875 N15.625 O18.8275 S3.004 |
| Title of publication | Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles |
| Authors of publication | Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 26.454 ± 0.0002 Å |
| b | 27.9371 ± 0.0002 Å |
| c | 30.9544 ± 0.0002 Å |
| α | 90.9437 ± 0.0006° |
| β | 92.5505 ± 0.0006° |
| γ | 91.4316 ± 0.0006° |
| Cell volume | 22843.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0914 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1984 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.97625 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267947 (current) | 2021-08-05 | cif/ Adding structures of 1564321, 1564322, 1564323 via cif-deposit CGI script. |
1564323.cif |
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Users of the data should acknowledge the original authors of the
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