Information card for entry 7105613

Structure parameters

• Formula: C48 H58 N6 O14
• Calculated formula: C48 H58 N6 O14
• SMILES: n1(cc(cc(c1)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1)=O.c1c2ccc(c1)CNC(=O)c1cncc(C(=O)NCc3ccc(cc3)OCCOCCOCCO2)c1.O.O.O.O.O
• 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: 11.4699 ± 0.0013 Å
• b: 14.693 ± 0.0016 Å
• c: 15.859 ± 0.0017 Å
• α: 113.824 ± 0.002°
• β: 91.924 ± 0.002°
• γ: 102.267 ± 0.002°
• Cell volume: 2367.7 ± 0.5 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: 0.1349
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No