Information card for entry 4124564

Structure parameters

• Formula: C78.45 H79.8 O30.45
• Calculated formula: C78.45 H54 O30.45
• Title of publication: Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion.
• Authors of publication: Chen, Shigui; Yamasaki, Makoto; Polen, Shane; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12276 - 12281
• a: 19.1282 ± 0.0004 Å
• b: 19.9934 ± 0.0004 Å
• c: 40.5716 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15516.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.207
• Residual factor for significantly intense reflections: 0.1296
• Weighted residual factors for significantly intense reflections: 0.3167
• Weighted residual factors for all reflections included in the refinement: 0.3682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No