Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550765
Preview
| Coordinates | 1550765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C185.98 H227.44 Cl2.92 N32 O33 |
|---|---|
| Calculated formula | C185.98 H227.44 Cl2.94 N32 O33 |
| Title of publication | Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries |
| Authors of publication | Jędrzejewska, Hanna; Szumna, Agnieszka |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 22.497 ± 0.005 Å |
| b | 31.279 ± 0.006 Å |
| c | 36.562 ± 0.007 Å |
| α | 67.29 ± 0.03° |
| β | 79.62 ± 0.03° |
| γ | 88 ± 0.03° |
| Cell volume | 23328 ± 10 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.2199 |
| Weighted residual factors for all reflections included in the refinement | 0.2339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.6888 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214233 (current) | 2019-03-21 | cif/ Adding structures of 1550765, 1550766 via cif-deposit CGI script. |
1550765.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.