Information card for entry 4508867

Structure parameters

• Formula: C58 H76 O9.5
• Calculated formula: C58.08 H76.16 O9.52
• Title of publication: Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes
• Authors of publication: Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2141
• a: 15.4735 ± 0.0012 Å
• b: 15.4735 ± 0.0012 Å
• c: 22.604 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5412.1 ± 0.9 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: 0.1429
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No