Information card for entry 4023718

Structure parameters

• Formula: C111.5 H136.25 F12 K2 N14.75 O22 P2
• Calculated formula: C111.5 H136.25 F12 K2 N14.75 O22 P2
• Title of publication: Efficient Potassium-Ion-Templated Synthesis and Controlled Destruction of [2]Rotaxanes Based on Cascade Complexes
• Authors of publication: Tao Han; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7735 - 7742
• a: 14.386 ± 0.003 Å
• b: 14.858 ± 0.004 Å
• c: 29.807 ± 0.008 Å
• α: 88.545 ± 0.006°
• β: 87.286 ± 0.006°
• γ: 66.908 ± 0.006°
• Cell volume: 5854 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No