Information card for entry 7220895

Structure parameters

• Formula: C72 H108 F12 N4 O26 S4
• Calculated formula: C72 H108 F12 N4 O26 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: 16.3576 ± 0.0014 Å
• b: 17.0042 ± 0.0013 Å
• c: 18.5089 ± 0.0013 Å
• α: 69.135 ± 0.007°
• β: 67.66 ± 0.007°
• γ: 67.136 ± 0.008°
• Cell volume: 4254.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No