Information card for entry 4511634

Structure parameters

• Formula: C151.95 H223.4 Br3 N6 O46.75
• Calculated formula: C151.95 H208.8 Br3 N6 O46.75
• Title of publication: Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene
• Authors of publication: Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4199
• a: 18.4096 ± 0.0006 Å
• b: 20.188 ± 0.0006 Å
• c: 23.4074 ± 0.0007 Å
• α: 73.34 ± 0.002°
• β: 68.043 ± 0.002°
• γ: 79.237 ± 0.002°
• Cell volume: 7698.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.3481
• Weighted residual factors for all reflections included in the refinement: 0.3745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.528
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No