Information card for entry 1553864

Structure parameters

• Formula: C81 H84 O10
• Calculated formula: C81 H84 O10
• SMILES: O(c1c2cc(OC)c(c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OC)cc(c(OCc3ccccc3)c1)Cc1c(OC)cc(c(OCc3ccccc3)c1)C2)Cc1ccccc1.CCCCCC
• Title of publication: A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state
• Authors of publication: Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 10
• a: 12.31 ± 0.03 Å
• b: 16.48 ± 0.04 Å
• c: 18.98 ± 0.04 Å
• α: 83.427 ± 0.016°
• β: 80.887 ± 0.014°
• γ: 69.254 ± 0.017°
• Cell volume: 3548 ± 14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.3047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No