Information card for entry 2008070

Structure parameters

• Chemical name: 25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene
• Formula: C54 H76 O6
• Calculated formula: C54 H76 O6
• Title of publication: 25,27-Dihydroxyethoxy-26,28-dipropoxy-<i>tert</i>-butylcalix[4]arene
• Authors of publication: Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 104 - 106
• a: 15.593 ± 0.003 Å
• b: 15.596 ± 0.009 Å
• c: 20.041 ± 0.006 Å
• α: 90°
• β: 95.12 ± 0.02°
• γ: 90°
• Cell volume: 4854 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes