Information card for entry 7153257

Structure parameters

• Formula: C54 H84.14 Cl N29 O24.07
• Calculated formula: C54 H64 Cl N29 O24.065
• Title of publication: Solid state stabilisation of the orally delivered drugs atenolol, glibenclamide, memantine and paracetamol through their complexation with cucurbit[7]uril.
• Authors of publication: McInnes, Fiona J.; Anthony, Nahoum G.; Kennedy, Alan R.; Wheate, Nial J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 765 - 773
• a: 21.273 ± 0.01 Å
• b: 17.264 ± 0.009 Å
• c: 38.427 ± 0.019 Å
• α: 90°
• β: 101.735 ± 0.007°
• γ: 90°
• Cell volume: 13818 ± 12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No