Information card for entry 7244565

Structure parameters

• Common name: p-sulfonatocalix[4]arene/pillar[6]pyridinum host-guest complex
• Formula: C156 H246 N12 O105 S12
• Calculated formula: C156 H131 N12 O104.901 S12
• Title of publication: Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media
• Authors of publication: Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 20.925 ± 0.0007 Å
• b: 21.5501 ± 0.0005 Å
• c: 28.2109 ± 0.0006 Å
• α: 102.793 ± 0.002°
• β: 91.143 ± 0.002°
• γ: 116.562 ± 0.003°
• Cell volume: 10992.4 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1794
• Residual factor for significantly intense reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.307
• Weighted residual factors for all reflections included in the refinement: 0.3759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No