Information card for entry 4131055

Structure parameters

• Formula: C60 H69 N5 O2
• Calculated formula: C60 H69 N5 O2
• Title of publication: Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.
• Authors of publication: Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16329 - 16336
• a: 21.3026 ± 0.0018 Å
• b: 12.766 ± 0.0009 Å
• c: 19.7821 ± 0.001 Å
• α: 90°
• β: 104.617 ± 0.007°
• γ: 90°
• Cell volume: 5205.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1702
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.3919
• Weighted residual factors for all reflections included in the refinement: 0.4787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.779
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No