Information card for entry 4124189

Structure parameters

• Formula: C47 H65 N O14
• Calculated formula: C47 H65 N O14
• Title of publication: Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.
• Authors of publication: Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150723135020006
• a: 15.8754 ± 0.0012 Å
• b: 34.211 ± 0.003 Å
• c: 18.0716 ± 0.0015 Å
• α: 90°
• β: 108.219 ± 0.0018°
• γ: 90°
• Cell volume: 9322.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.06 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: 0.1517
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No