Information card for entry 7135520

Structure parameters

• Formula: C312 H304 Cl24 Co16 N8 O100 S16
• Calculated formula: C224 H200 Co16 O92 S16
• Title of publication: Edge-centred chirality-induced enantiopure square-like sulfonylcalix[4]arene-{Co^II₁₆} cages for selective (+)-/(-)-α-pinene adsorption.
• Authors of publication: Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Zinoviev, Ilya M.; Guskov, Vladimir Yu; Islamov, Daut R.; Mukhametzyanov, Timur A.; Lin, Meijin; Dorovatovskii, Pavel V.; Peters, Georgy S.; Kulikova, Elizaveta S.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1986 - 1990
• a: 25.191 ± 0.005 Å
• b: 43.168 ± 0.009 Å
• c: 24.625 ± 0.005 Å
• α: 90°
• β: 109.29 ± 0.03°
• γ: 90°
• Cell volume: 25275 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.7527 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No