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Information card for entry 2108657
Preview
| Coordinates | 2108657.cif |
|---|---|
| Structure factors | 2108657.hkl |
| Original IUCr paper | HTML |
| Formula | C260 H264 N24 O40 |
|---|---|
| Calculated formula | C260 H264 N24 O40 |
| Title of publication | C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR |
| Authors of publication | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 21.91 ± 0.02 Å |
| b | 21.91 ± 0.02 Å |
| c | 25.44 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12212 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 97 |
| Hermann-Mauguin space group symbol | I 4 2 2 |
| Hall space group symbol | I 4 2 |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0845 |
| Weighted residual factors for significantly intense reflections | 0.2386 |
| Weighted residual factors for all reflections included in the refinement | 0.2587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.8266 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255737 (current) | 2020-08-29 | cif/ hkl/ Adding structures of 2108657 via cif-deposit CGI script. |
2108657.cif 2108657.hkl |
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Users of the data should acknowledge the original authors of the
structural data.