Information card for entry 7236146

Structure parameters

• Formula: C50 H82 Cl2 N6 O17
• Calculated formula: C50 H82 Cl2 N6 O17
• Title of publication: Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice
• Authors of publication: Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 32
• Pages of publication: 6634
• a: 10.9 ± 0.011 Å
• b: 11.786 ± 0.012 Å
• c: 24.64 ± 0.03 Å
• α: 102.078 ± 0.012°
• β: 90.025 ± 0.013°
• γ: 113.655 ± 0.012°
• Cell volume: 2823 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1915
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No