Information card for entry 7105611

Structure parameters

• Formula: C27 H29 N3 O6
• Calculated formula: C27 H29 N3 O6
• SMILES: c12ccc(cc1)OCCOCCOCCOc1ccc(cc1)CNC(=O)c1cc(C(=O)NC2)cnc1
• 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: 12.3749 ± 0.0014 Å
• b: 21.444 ± 0.002 Å
• c: 9.7237 ± 0.0011 Å
• α: 90°
• β: 93.946 ± 0.002°
• γ: 90°
• Cell volume: 2574.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No