Information card for entry 4126252

Structure parameters

• Formula: C613 H632.66 Cl36 F32 N96 O96.33
• Calculated formula: C594.004 H535.504 Cl36.012 F32 N96 O96.3355
• Title of publication: Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests.
• Authors of publication: Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 36.365 ± 0.007 Å
• b: 49.686 ± 0.01 Å
• c: 46.097 ± 0.009 Å
• α: 90°
• β: 105.91 ± 0.03°
• γ: 90°
• Cell volume: 80099 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.2018
• Residual factor for significantly intense reflections: 0.1607
• Weighted residual factors for significantly intense reflections: 0.392
• Weighted residual factors for all reflections included in the refinement: 0.4326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.605
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No