Information card for entry 7118293

Structure parameters

• Formula: C40 H47 Cl Hg O4
• Calculated formula: C40 H47 Cl Hg O4
• Title of publication: Synthesis of inherently chiral calixarenes via direct mercuration of the partial cone conformation.
• Authors of publication: Slavík, Petr; Kohout, Michal; Böhm, Stanislav; Eigner, Václav; Lhoták, Pavel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2366 - 2369
• a: 36.8232 ± 0.0011 Å
• b: 9.7905 ± 0.0003 Å
• c: 26.7317 ± 0.0009 Å
• α: 90°
• β: 131.016 ± 0.004°
• γ: 90°
• Cell volume: 7271.6 ± 0.6 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No