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Information card for entry 7224908
Preview
Coordinates | 7224908.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H70 Cl3 Mg N27 O27 |
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Calculated formula | C43 H70 Cl3 Mg N27 O27 |
Title of publication | Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine |
Authors of publication | Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 26 |
Pages of publication | 4905 |
a | 12.528 ± 0.0014 Å |
b | 15.3546 ± 0.0012 Å |
c | 17.2965 ± 0.0016 Å |
α | 107.352 ± 0.008° |
β | 100.18 ± 0.009° |
γ | 95.791 ± 0.008° |
Cell volume | 3083.7 ± 0.5 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1056 |
Residual factor for significantly intense reflections | 0.0805 |
Weighted residual factors for significantly intense reflections | 0.2113 |
Weighted residual factors for all reflections included in the refinement | 0.2382 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7224908.html
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