Information card for entry 1507067

Structure parameters

• Formula: C28 H24 O4
• Calculated formula: C28 H24 O4
• SMILES: O(c1c(C(=C(\c2c(OC)cccc2)c2c(O)cccc2)/c2c(O)cccc2)cccc1)C
• Title of publication: Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.
• Authors of publication: Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2653 - 2656
• a: 10.9757 ± 0.0013 Å
• b: 15.4466 ± 0.0018 Å
• c: 13.6421 ± 0.0013 Å
• α: 90°
• β: 99.547 ± 0.002°
• γ: 90°
• Cell volume: 2280.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2607
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No