Information card for entry 7236145

Structure parameters

• Formula: C32 H37 Cl N3 O5
• Calculated formula: C32 H37 Cl N3 O5
• 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: 15.4537 ± 0.0014 Å
• b: 9.1572 ± 0.0008 Å
• c: 43.467 ± 0.004 Å
• α: 90°
• β: 92.602 ± 0.004°
• γ: 90°
• Cell volume: 6144.8 ± 1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No