Information card for entry 1518176

Structure parameters

• Formula: C66 H62 F24 N8 O10 P4
• Calculated formula: C66 H62 F24 N8 O10 P4
• SMILES: [n+]12ccc(c3cc[n+](cc3)Cc3ccc(C[n+]4ccc(c5cc[n+](Cc6ccc(C2)cc6)cc5)cc4)cc3)cc1.[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-].O1c2nc(Oc3cc4Oc5nc(Oc6cc(OCCOCCOCCOCCOCCOc(c4)c3)cc1c6)cnc5)cnc2
• 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: 24.3811 ± 0.0008 Å
• b: 17.445 ± 0.0006 Å
• c: 20.4684 ± 0.0007 Å
• α: 90°
• β: 91.25 ± 0.001°
• γ: 90°
• Cell volume: 8703.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2953
• Weighted residual factors for all reflections included in the refinement: 0.3298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No