Information card for entry 1553865

Structure parameters

• Formula: C82 H86 Cl2 O10
• Calculated formula: C82 H86 Cl2 O10
• SMILES: ClCCl.O(c1c2cc(OC)c(c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)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: 12.2178 ± 0.001 Å
• b: 15.0675 ± 0.0014 Å
• c: 20.9593 ± 0.0017 Å
• α: 78.186 ± 0.006°
• β: 85.869 ± 0.006°
• γ: 67.284 ± 0.005°
• Cell volume: 3483.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No