Information card for entry 7115300

Structure parameters

• Formula: C71 H88 N6 O15
• Calculated formula: C71 H88 N6 O15
• Title of publication: Convergent heteroditopic cyclo[6]aramides as macrocyclic ion-pair receptors for constructing [2]pseudorotaxanes
• Authors of publication: Jinchuan Hu; Long Chen; Jie Shen; Jian Luo; Pengchi Deng; Yi Ren; Huaqiang Zeng; Wen Feng; Lihua Yuan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8024
• a: 15.0617 ± 0.0006 Å
• b: 15.8532 ± 0.0005 Å
• c: 20.3366 ± 0.0006 Å
• α: 86.099 ± 0.003°
• β: 78.81 ± 0.003°
• γ: 67.459 ± 0.004°
• Cell volume: 4399.6 ± 0.3 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No