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Information card for entry 1564321
Preview
| Coordinates | 1564321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | peptide-Foldamer hybrid macrocycle |
|---|---|
| Formula | C102.67 H88.67 Ca0.67 N25.67 O35.17 S6 |
| Calculated formula | C102.667 H88.6667 Ca0.666667 N25.6667 O35.1667 S6 |
| 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 | 26.6387 ± 0.0009 Å |
| b | 28.6958 ± 0.0006 Å |
| c | 36.1958 ± 0.0012 Å |
| α | 84.231 ± 0.002° |
| β | 71.432 ± 0.003° |
| γ | 87.032 ± 0.002° |
| Cell volume | 26089.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.2287 |
| Residual factor for significantly intense reflections | 0.1634 |
| Weighted residual factors for significantly intense reflections | 0.3564 |
| Weighted residual factors for all reflections included in the refinement | 0.4346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| 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. |
1564321.cif |
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Users of the data should acknowledge the original authors of the
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