Information card for entry 7204165

Structure parameters

• Common name: 2,8,14,20-tetra(p-butoxy-phenyl)resorcinarene DMF/acetone solvate
• Chemical name: 2,8,14,20-tetra(p-butoxy-phenyl)pentacyclo-[19.3.1.13,7.19,13.115,19]octacosa- 1-(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene- 4,6,10,12,16,18,22,24-octaol
• Formula: C80 H98 N2 O16
• Calculated formula: C80.02 H98.06 N2 O16
• Title of publication: Solvent-free synthesis of calix[4]resorcinarenes
• Authors of publication: Brett A. Roberts; Gareth W. V. Cave; Colin L. Raston; Janet L. Scott
• Journal of publication: Green Chem.
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 280 - 284
• a: 11.2391 ± 0.0002 Å
• b: 12.889 ± 0.0002 Å
• c: 14.478 ± 0.0004 Å
• α: 90.734 ± 0.001°
• β: 110.956 ± 0.001°
• γ: 112.21 ± 0.001°
• Cell volume: 1786.49 ± 0.07 ų
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.2155
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No