Information card for entry 7053785

Structure parameters

• Formula: C146 H227 N O28
• Calculated formula: C146 H227 N O28
• Title of publication: Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes
• Authors of publication: Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1563
• a: 37.21 ± 0.002 Å
• b: 37.21 ± 0.002 Å
• c: 25.915 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31074 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.3292
• Residual factor for significantly intense reflections: 0.1898
• Weighted residual factors for significantly intense reflections: 0.4486
• Weighted residual factors for all reflections included in the refinement: 0.536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.601
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No