Information card for entry 4113728

Structure parameters

• Formula: C90 H106 O16 S4
• Calculated formula: C90 H106 O16 S4
• Title of publication: Bis(calix[4]diquinone) Receptors: Cesium- and Rubidium-Selective Redox-Active Ionophores
• Authors of publication: Philip R. A. Webber; Paul D. Beer; George Z. Chen; Vitor Felix; Michael G. B. Drew
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5774 - 5785
• a: 13.5 ± 0.02 Å
• b: 14.06 ± 0.02 Å
• c: 14.01 ± 0.02 Å
• α: 116.736 ± 0.01°
• β: 99.688 ± 0.01°
• γ: 105.312 ± 0.01°
• Cell volume: 2160 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3841
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.3081
• Weighted residual factors for all reflections included in the refinement: 0.4148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No