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Information card for entry 7241175
Preview
| Coordinates | 7241175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H78 N6 O6 |
|---|---|
| Calculated formula | C42 H78 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 | 14.6731 ± 0.0011 Å |
| b | 15.3415 ± 0.001 Å |
| c | 11.2315 ± 0.0008 Å |
| α | 90° |
| β | 108.98 ± 0.003° |
| γ | 90° |
| Cell volume | 2390.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0804 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1815 |
| Weighted residual factors for all reflections included in the refinement | 0.2031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255814 (current) | 2020-09-03 | cif/ Adding structures of 7241171, 7241172, 7241173, 7241174, 7241175 via cif-deposit CGI script. |
7241175.cif |
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Users of the data should acknowledge the original authors of the
structural data.