Information card for entry 4508869

Structure parameters

• Formula: C56 H71 Br Cl F3 O9
• Calculated formula: C56 H71 Br Cl F3 O9
• 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: 15.4867 ± 0.0013 Å
• b: 15.4867 ± 0.0013 Å
• c: 22.675 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5438.3 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.149
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.3049
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No