Information card for entry 7224908

Structure parameters

• Formula: C43 H70 Cl3 Mg N27 O27
• 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 ų
• 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