Information card for entry 7102097

Structure parameters

• Formula: C54 H75 Cl Cs N O12
• Calculated formula: C54 H75 Cl Cs N O12
• Title of publication: Ionic dimeric pyrogallol[4]arene capsules.
• Authors of publication: Dalgarno, Scott J; Power, Nicholas P; Atwood, Jerry L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3447 - 3449
• a: 11.035 ± 0.006 Å
• b: 12.678 ± 0.007 Å
• c: 21.853 ± 0.012 Å
• α: 105.604 ± 0.009°
• β: 98.632 ± 0.01°
• γ: 95.176 ± 0.009°
• Cell volume: 2884 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No