Information card for entry 7057213

Structure parameters

• Formula: C104 H124 N2 O22
• Calculated formula: C104 H124 N2 O22
• Title of publication: Self-locked dipillar[5]arene-based pseudo[1]rotaxanes and bispseudo[1]rotaxanes with different lengths of bridging chains
• Authors of publication: Jiang, Shuo; Han, Ying; Cheng, Ming; Sun, Jing; Yan, Chao-Guo; Jiang, Juli; Wang, Leyong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7603
• a: 12.413 ± 0.002 Å
• b: 22.404 ± 0.003 Å
• c: 22.568 ± 0.003 Å
• α: 62.389 ± 0.004°
• β: 77.747 ± 0.004°
• γ: 81.705 ± 0.004°
• Cell volume: 5427.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.311
• Residual factor for significantly intense reflections: 0.2
• Weighted residual factors for significantly intense reflections: 0.4349
• Weighted residual factors for all reflections included in the refinement: 0.4712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No