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Information card for entry 4039027
Preview
| Coordinates | 4039027.cif |
|---|---|
| Structure factors | 4039027.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | tert-Butyl (S)-2-((S)-hydroxy((1R,2R)-2-((S)-2-((S)-hydroxy- ((1R,2R)-2-(methoxycarbonyl)cyclopentyl)methyl)pyrrolidine-1- carbonyl)cyclopentyl)methyl)pyrrolidine-1-carboxylate |
|---|---|
| Formula | C28 H46 N2 O7 |
| Calculated formula | C28 H46 N2 O7 |
| Title of publication | Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures |
| Authors of publication | Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2024 |
| Journal volume | 89 |
| Pages of publication | 4283 - 4293 |
| a | 12.8992 ± 0.0004 Å |
| b | 6.1645 ± 0.0002 Å |
| c | 35.2338 ± 0.0011 Å |
| α | 90° |
| β | 100.471 ± 0.002° |
| γ | 90° |
| Cell volume | 2755.03 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291189 (current) | 2024-04-11 | cif/ hkl/ Adding structures of 4039027 via cif-deposit CGI script. |
4039027.cif 4039027.hkl |
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Users of the data should acknowledge the original authors of the
structural data.