Information card for entry 7057212

Structure parameters

• Formula: C129 H154 N4 O26
• Calculated formula: C129 H154 N4 O26
• 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: 14.107 ± 0.003 Å
• b: 23.359 ± 0.004 Å
• c: 42.774 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14095 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.3296
• Residual factor for significantly intense reflections: 0.1801
• Weighted residual factors for significantly intense reflections: 0.4347
• Weighted residual factors for all reflections included in the refinement: 0.479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No