Information card for entry 2216902

Structure parameters

• Common name: 7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)resorcin[4]arene cavitand ethyl acetate clathrate
• Chemical name: 7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)-2,20:3,19- dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d'] bis[1,3]benzodioxocin stereoisomer
• Formula: C72 H72 O10
• Calculated formula: C72 H72 O10
• Title of publication: 7,11,15,28-Tetramethyl-1,21,23,25-tetrakis(2-phenylethyl)resorcin[4]arene ethyl acetate clathrate
• Authors of publication: Mc Kay, Michael G.; Friedrich, Holger B.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o98 - o98
• a: 24.3288 ± 0.0004 Å
• b: 20.6279 ± 0.0004 Å
• c: 11.7828 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5913.22 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes