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Information card for entry 2108112
Preview
| Coordinates | 2108112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H48 N6 O11 |
|---|---|
| Calculated formula | C30 H48 N6 O11 |
| 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 | 8.3412 ± 0.0003 Å |
| b | 9.356 ± 0.0003 Å |
| c | 21.5561 ± 0.0009 Å |
| α | 78.318 ± 0.004° |
| β | 88.636 ± 0.004° |
| γ | 83.546 ± 0.003° |
| Cell volume | 1636.96 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor R(I) for significantly intense reflections | 0.0272 |
| 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 |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2108112.cif |
| 199059 | 2017-07-25 | cif/ hkl/ Adding structures of 2108112, 2108113 via cif-deposit CGI script. |
2108112.cif |
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Users of the data should acknowledge the original authors of the
structural data.