Information card for entry 7101704

Structure parameters

• Common name: para-octanoylcalix(4)arene + acetone
• Formula: C66 H92 O10
• Calculated formula: C66 H92 O10
• Title of publication: A molecular turnstile in para-octanoyl calix[4]arene nanocapsules.
• Authors of publication: Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 707 - 709
• a: 12.6317 ± 0.0015 Å
• b: 15.6209 ± 0.0018 Å
• c: 15.658 ± 0.0018 Å
• α: 90.081 ± 0.002°
• β: 104.117 ± 0.002°
• γ: 96.904 ± 0.002°
• Cell volume: 2973.1 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1726
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3413
• Weighted residual factors for all reflections included in the refinement: 0.3959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No