Information card for entry 7115538

Structure parameters

• Formula: C43 H50 O4
• Calculated formula: C43 H50 O4
• Title of publication: Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes
• Authors of publication: Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10112
• a: 9.8496 ± 0.0003 Å
• b: 12.97 ± 0.0005 Å
• c: 14.9932 ± 0.0005 Å
• α: 89.965 ± 0.003°
• β: 77.36 ± 0.003°
• γ: 74.04 ± 0.003°
• Cell volume: 1793.29 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.2058
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0857
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No