Information card for entry 7153047

Structure parameters

• Formula: C46 H51 N O6
• Calculated formula: C46 H51 N O6
• 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: 11.6871 ± 0.0005 Å
• b: 12.8055 ± 0.0007 Å
• c: 14.7108 ± 0.0006 Å
• α: 94.246 ± 0.004°
• β: 91.367 ± 0.003°
• γ: 113.935 ± 0.005°
• Cell volume: 2003.25 ± 0.18 ų
• Cell temperature: 119.8 K
• Ambient diffraction temperature: 119.8 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: 0.0448
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No