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Information card for entry 7224910
Preview
Coordinates | 7224910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C128 H140 Cl2 N76 O80 |
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Calculated formula | C128 H140 Cl2 N76 O80.069 |
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 | 15.6491 ± 0.001 Å |
b | 20.9747 ± 0.0018 Å |
c | 35.1781 ± 0.001 Å |
α | 100.397 ± 0.005° |
β | 99.817 ± 0.004° |
γ | 103.379 ± 0.006° |
Cell volume | 10773.6 ± 1.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2609 |
Residual factor for significantly intense reflections | 0.1567 |
Weighted residual factors for significantly intense reflections | 0.3754 |
Weighted residual factors for all reflections included in the refinement | 0.4392 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7224910.html
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