Information card for entry 7150560

Structure parameters

• Common name: Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat (2)Catenane
• Chemical name: Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat [2]Catenane
• Formula: C82 H102.925 F24 I0.075 N9 O16 P4
• Calculated formula: C82 H102.92 F24 I0.08 N9 O16 P4
• Title of publication: Three-dimensional bis(m-phenylene)-32-crown-10-based cryptand/paraquat catenanes
• Authors of publication: Liu, Ming; Li, Shijun; Zhang, Mingming; Zhou, Qizhong; Wang, Feng; Hu, Menglong; Fronczek, Frank R.; Li, Ning; Huang, Feihe
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1288 - 1291
• a: 13.9005 ± 0.0015 Å
• b: 14.0323 ± 0.0011 Å
• c: 26.137 ± 0.002 Å
• α: 75.665 ± 0.004°
• β: 81.887 ± 0.004°
• γ: 74.949 ± 0.005°
• Cell volume: 4753.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No