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Information card for entry 7157302
Preview
| Coordinates | 7157302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 N2 O6 |
|---|---|
| Calculated formula | C20 H26 N2 O6 |
| Title of publication | Elusive π-helical peptide foldamers spotted by chiroptical studies. |
| Authors of publication | Di Silvio, Sergio; Bologna, Fabio; Milli, Lorenzo; Giuri, Demetra; Zanna, Nicola; Castellucci, Nicola; Monari, Magda; Calvaresi, Matteo; Górecki, Marcin; Angelici, Gaetano; Tomasini, Claudia; Pescitelli, Gennaro |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 865 - 877 |
| a | 18.3138 ± 0.001 Å |
| b | 10.0679 ± 0.0006 Å |
| c | 11.1281 ± 0.0006 Å |
| α | 90° |
| β | 102.629 ± 0.002° |
| γ | 90° |
| Cell volume | 2002.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
7157302.cif |
| 249029 | 2020-03-05 | cif/ Updating files of 7157301, 7157302 Original log message: Adding full bibliography for 7157301--7157302.cif. |
7157302.cif |
| 246405 | 2020-01-01 | cif/ Adding structures of 7157301, 7157302 via cif-deposit CGI script. |
7157302.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.