Information card for entry 7105577

Structure parameters

• Common name: Q8C12DA
• Formula: C312 H554 Cl52 N144 O135 Zn12
• Calculated formula: C312 H408 Cl52 N144 O135 Zn12
• Title of publication: Chirality from achiral components: N,N'-bis(4-dimethylaminobenzyl)dodecane-1,12-diammonium in cucurbit[8]uril.
• Authors of publication: Xiao, Xin; Liu, Jing-Xin; Fan, Zhi-Fang; Chen, Kai; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3741 - 3743
• a: 21.4729 ± 0.001 Å
• b: 35.6109 ± 0.0017 Å
• c: 31.4762 ± 0.0015 Å
• α: 90°
• β: 95.867 ± 0.003°
• γ: 90°
• Cell volume: 23943 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2329
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No