Information card for entry 7239223

Structure parameters

• Formula: C73 H78 F24 N7 O10 P4
• Calculated formula: C73 H78 F24 N7 O10 P4
• Title of publication: Taco complex-templated dynamic clipping to cryptand-based [2]rotaxane- and [2]catenane-type mechanically interlocked structures
• Authors of publication: Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou; Zhou, Qizhong
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 21289
• a: 13.9994 ± 0.0006 Å
• b: 14.0662 ± 0.0006 Å
• c: 15.3078 ± 0.0007 Å
• α: 108.714 ± 0.004°
• β: 107.27 ± 0.004°
• γ: 96.152 ± 0.003°
• Cell volume: 2657.2 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No