Information card for entry 1503755

Structure parameters

• Formula: C128 H190 F24 N8 O18 P4
• Calculated formula: C128 H190 F24 N8 O18 P4
• Title of publication: A molecular cage-based [2]rotaxane that behaves as a molecular muscle.
• Authors of publication: Chuang, Chun-Ju; Li, Wan-Sheung; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chao, Ito; Chiu, Sheng-Hsien
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 385 - 388
• a: 20.6795 ± 0.0012 Å
• b: 21.847 ± 0.0008 Å
• c: 15.223 ± 0.0007 Å
• α: 90°
• β: 101.267 ± 0.005°
• γ: 90°
• Cell volume: 6745 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No