Information card for entry 7122847

Structure parameters

• Formula: C68 H96 Br4 F12 N4 O10 P2
• Calculated formula: C68 H96 Br4 F12 N4 O10 P2
• Title of publication: Benzobis(imidazolium) salts as templates for the self-assembly of starburst [24]pseudorotaxanes and their corresponding carbene-based classic [22]pseudorotaxanes
• Authors of publication: Foster, Mathew W.; Mehl, Benjamin T.; Treadwell, Ed; Semeniuc, Radu F.; Wheeler, Kraig A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.9879 ± 0.0004 Å
• b: 13.5898 ± 0.0004 Å
• c: 13.7145 ± 0.0004 Å
• α: 78.086 ± 0.002°
• β: 79.356 ± 0.002°
• γ: 67.925 ± 0.002°
• Cell volume: 1843.89 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No