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Information card for entry 7228452
Preview
Coordinates | 7228452.cif |
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Original paper (by DOI) | HTML |
Formula | C225.11 H259.71 Cl8.74 N24 O42.2 |
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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 |
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197732 (current) | 2017-06-10 | cif/ Adding structures of 7228452 via cif-deposit CGI script. |
7228452.cif |
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Users of the data should acknowledge the original authors of the
structural data.