Information card for entry 7220894

Structure parameters

• Formula: C66 H96 F12 N4 O22 S4
• Calculated formula: C66 H96 F12 N4 O22 S4
• Title of publication: Dimeric Resorcinarene Salt Capsules with Very Tight Encapsulation of Anions and Guest Molecules
• Authors of publication: Pan, Fangfang; Beyeh, N. Kodiah; Rissanen, Kari
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.4805 ± 0.0007 Å
• b: 31.8766 ± 0.0007 Å
• c: 15.951 ± 0.0005 Å
• α: 90°
• β: 104.209 ± 0.004°
• γ: 90°
• Cell volume: 7630.5 ± 0.5 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No