Information card for entry 1507068

Structure parameters

• Formula: C30 H28 O5
• Calculated formula: C30 H28 O5
• SMILES: O1[C@@]2([C@@](Oc3c2cccc3)(c2c1cccc2)c1c(O)cccc1)c1c(O)cccc1.O(CC)CC.O1[C@]2([C@](Oc3c2cccc3)(c2c1cccc2)c1c(O)cccc1)c1c(O)cccc1.O(CC)CC
• 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: 8.8406 ± 0.001 Å
• b: 9.5462 ± 0.0011 Å
• c: 16.604 ± 0.002 Å
• α: 88.872 ± 0.002°
• β: 74.665 ± 0.002°
• γ: 65.16 ± 0.002°
• Cell volume: 1219.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• 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: 0.1964
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No