Information card for entry 7153675

Structure parameters

• Common name: Tetra hydroxyl CB
• Chemical name: Tetra hydroxyl CB
• Formula: C100 H155 N32 O49.5
• Calculated formula: C100 H134 N32 O49.533
• Title of publication: Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.
• Authors of publication: Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 2413 - 2422
• a: 29.339 ± 0.003 Å
• b: 13.8631 ± 0.0013 Å
• c: 29.715 ± 0.003 Å
• α: 90°
• β: 99.2288 ± 0.0016°
• γ: 90°
• Cell volume: 11930 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No