Information card for entry 1518175

Structure parameters

• Formula: C74 H64 F24 N8 O10 P4
• Calculated formula: C74 H64 F24 N8 O10 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2cc3OCCOCCOc4cccc5c4cccc5OCCOCCOc4cc(Oc5cncc(Oc(c3)c2)n5)cc(Oc2cncc1n2)c4.c1cc2cc[n+]1Cc1ccc(C[n+]3ccc(c4cc[n+](Cc5ccc(C[n+]6ccc2cc6)cc5)cc4)cc3)cc1
• Title of publication: [2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.
• Authors of publication: Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 5894 - 5897
• a: 13.6675 ± 0.0008 Å
• b: 27.6576 ± 0.0016 Å
• c: 28.2284 ± 0.0016 Å
• α: 62.073 ± 0.002°
• β: 88.936 ± 0.002°
• γ: 86.633 ± 0.002°
• Cell volume: 9411.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No