Information card for entry 2221347

Structure parameters

• Common name: 7,11,15,28-Tetrakis[(2-formylphenoxy)methyl]-1,21,23,25- tetramethylresorcin[4]arene cavitand
• Chemical name: 7,11,15,28-Tetrakis[(2-formylphenoxy)methylene]-1,21,23,25-tetramethylpentyl- 2,20:3,19-dimetheno-1<i>H</i>,21<i>H</i>,23<i>H</i>,25<i>H</i>- bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocin stereoisomer
• Formula: C68 H56 O16
• Calculated formula: C68 H56 O16
• Title of publication: 7,11,15,28-Tetrakis[(2-formylphenoxy)methyl]-1,21,23,25-tetramethylresorcin[4]arene cavitand ethyl acetate clathrate at 173 K
• Authors of publication: Mc Kay, Michael G.; Friedrich, Holger B.; Howie, R. Alan; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o692 - o693
• a: 11.9228 ± 0.0007 Å
• b: 23.2806 ± 0.0015 Å
• c: 12.232 ± 0.0007 Å
• α: 90°
• β: 117.005 ± 0.003°
• γ: 90°
• Cell volume: 3025 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2169
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes