Information card for entry 7105612

Structure parameters

• Formula: C51 H53 N5 O10
• Calculated formula: C51 H53 N5 O10
• SMILES: n1(=O)cc(cc(c1)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.N1Cc2ccc(OCCOCCOCCOCCOc3ccc(cc3)CNC(=O)c3cc(C1=O)ccc3)cc2
• Title of publication: New switchable [2]pseudorotaxanes formed by pyridine N-oxide derivatives with diamide-based macrocycles.
• Authors of publication: Chen, Mujuan; Han, Shujuan; Jiang, Lasheng; Zhou, Songgen; Jiang, Fei; Xu, Zhikai; Liang, Jidong; Zhang, Suhui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 3932 - 3934
• a: 13.307 ± 0.004 Å
• b: 13.97 ± 0.002 Å
• c: 14.302 ± 0.002 Å
• α: 111.192 ± 0.002°
• β: 103.103 ± 0.003°
• γ: 101.085 ± 0.003°
• Cell volume: 2301.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1022
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No