Information card for entry 7101703

Structure parameters

• Common name: para-octanoylcalix(4)arene
• Formula: C60 H80 O8
• Calculated formula: C60 H80 O8
• 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: 15.4022 ± 0.0012 Å
• b: 15.4022 ± 0.0012 Å
• c: 22.825 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5414.7 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.3371
• Weighted residual factors for all reflections included in the refinement: 0.3963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.918
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No