Information card for entry 4001599

Structure parameters

• Common name: p-hexanoylcalixarene-EHMC
• Formula: C61 H76 O9.5
• Calculated formula: C61 H76 O9.5
• Title of publication: Solid Lipid Nanoparticles ofp-Hexanoyl Calix[4]arene as a Controlling Agent in the Photochemistry of a Sunscreen Blocker
• Authors of publication: Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Daroszewska, Malgosia; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 5817
• a: 15.547 ± 0.0009 Å
• b: 22.3388 ± 0.0013 Å
• c: 15.6068 ± 0.0009 Å
• α: 90°
• β: 90.668 ± 0.001°
• γ: 90°
• Cell volume: 5419.9 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.1451
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2717
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No