Information card for entry 7102806

Structure parameters

• Common name: para hexanoyl calix(4)arene SG1
• Formula: C14.63 H19.63 N0.13 O2.5 P0.13
• Calculated formula: C14.69 H19.77 N0.13 O2.52 P0.13
• Title of publication: Crystalline inclusion complex of a calixarene with a nitroxide
• Authors of publication: Ananchenko, Gennady S.; Udachin, Konstanin A.; Coleman, Anthony W.; Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Ripmeester, John A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 223 - 225
• a: 15.5336 ± 0.0009 Å
• b: 15.5336 ± 0.0009 Å
• c: 22.658 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5467.2 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No