Information card for entry 7109541

Structure parameters

• Formula: C36 H38 O4
• Calculated formula: C36 H38 O4
• SMILES: c12Cc3ccc4c(Cc5c4ccc(Cc4cccc(Cc(ccc1)c2OCC)c4OCC)c5OCC)c3OCC
• 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: 11.09428 ± 0.00016 Å
• b: 15.3379 ± 0.00018 Å
• c: 17.4781 ± 0.0002 Å
• α: 90°
• β: 91.8464 ± 0.0012°
• γ: 90°
• Cell volume: 2972.58 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0709
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0514
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No