Information card for entry 7109540

Structure parameters

• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: c12Cc3ccc4c(Cc5c4ccc(Cc4cccc(Cc(ccc1)c2OC)c4OC)c5OC)c3OC
• Title of publication: meta-Bridged calix[4]arenes: a straightforward synthesis via organomercurial chemistry
• Authors of publication: Karolina Flidrova; Petr Slavik; Vaclav Eigner; Hana Dvorakova; Pavel Lhotak
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6749
• a: 7.33245 ± 0.00016 Å
• b: 33.2368 ± 0.0005 Å
• c: 10.52859 ± 0.00018 Å
• α: 90°
• β: 101.696 ± 0.0019°
• γ: 90°
• Cell volume: 2512.62 ± 0.08 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.1426
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No