Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108113
Preview
| Coordinates | 2108113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 N6 O10 |
|---|---|
| Calculated formula | C30 H46 N6 O10 |
| Title of publication | Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains |
| Authors of publication | Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 399 - 412 |
| a | 9.0297 ± 0.0005 Å |
| b | 10.6234 ± 0.0006 Å |
| c | 18.0121 ± 0.0012 Å |
| α | 90° |
| β | 102.595 ± 0.006° |
| γ | 90° |
| Cell volume | 1686.25 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor R(I) for significantly intense reflections | 0.0371 |
| Goodness-of-fit parameter for all reflections | 1.114 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.849893 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199059 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108112, 2108113 via cif-deposit CGI script. |
2108113.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.