Information card for entry 7118292

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: 14.6684 ± 0.0002 Å
• b: 16.1503 ± 0.0003 Å
• c: 16.8665 ± 0.0003 Å
• α: 109.87 ± 0.0015°
• β: 99.8419 ± 0.0014°
• γ: 95.2508 ± 0.0014°
• Cell volume: 3653.9 ± 0.12 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9853
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No