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Information card for entry 7228452
Preview
| Coordinates | 7228452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C225.11 H259.71 Cl8.74 N24 O42.2 |
|---|---|
| Calculated formula | C225.115 H259.733 Cl8.727 N24 O42.206 |
| Title of publication | On the mechanism of mechanochemical molecular encapsulation in peptidic capsules |
| Authors of publication | Szymański, M. P.; Jędrzejewska, H.; Wierzbicki, M.; Szumna, A. |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 17.77 ± 0.0004 Å |
| b | 18.09 ± 0.0005 Å |
| c | 19.19 ± 0.002 Å |
| α | 112.63° |
| β | 96.4° |
| γ | 99.29° |
| Cell volume | 5516.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1761 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.7085 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197732 (current) | 2017-06-10 | cif/ Adding structures of 7228452 via cif-deposit CGI script. |
7228452.cif |
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