Information card for entry 7112299

Structure parameters

• Common name: C2Dicat
• Formula: C83 H104 Br2 N4 O27
• Calculated formula: C83 H102 Br2 N4 O27
• Title of publication: Formation of a dimeric host-guest complex via binding between a dicationic ionic liquid and a pyrogallol[4]arene macrocycle.
• Authors of publication: Fowler, Drew A.; Atwood, Jerry L.; Baker, Gary A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 1802 - 1804
• a: 34.618 ± 0.01 Å
• b: 10.229 ± 0.003 Å
• c: 22.447 ± 0.007 Å
• α: 90°
• β: 92.266 ± 0.004°
• γ: 90°
• Cell volume: 7942 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108877
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No