Information card for entry 7153049

Structure parameters

• Formula: C40 H47 Cl Hg O4
• Calculated formula: C40 H47 Cl Hg O4
• Title of publication: Meta-arylation of calixarenes using organomercurial chemistry.
• Authors of publication: Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 33
• Pages of publication: 5528 - 5534
• a: 38.668 ± 0.001 Å
• b: 9.91309 ± 0.00018 Å
• c: 38.2857 ± 0.0009 Å
• α: 90°
• β: 99.843 ± 0.002°
• γ: 90°
• Cell volume: 14459.6 ± 0.6 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0165
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No