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Information card for entry 7241173
Preview
| Coordinates | 7241173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H90 N6 O6 |
|---|---|
| Calculated formula | C48 H90 N6 O6 |
| Title of publication | Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour |
| Authors of publication | Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.254 ± 0.005 Å |
| b | 14.838 ± 0.005 Å |
| c | 11.247 ± 0.003 Å |
| α | 90° |
| β | 91.957 ± 0.009° |
| γ | 90° |
| Cell volume | 2544.1 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.2011 |
| Residual factor for significantly intense reflections | 0.1075 |
| Weighted residual factors for significantly intense reflections | 0.2188 |
| Weighted residual factors for all reflections included in the refinement | 0.2732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241173.cif |
| 255814 | 2020-09-03 | cif/ Adding structures of 7241171, 7241172, 7241173, 7241174, 7241175 via cif-deposit CGI script. |
7241173.cif |
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Users of the data should acknowledge the original authors of the
structural data.