Information card for entry 4126250

Structure parameters

• Formula: C347.14 H359.61 Cl5.52 F16 N48 O48
• Calculated formula: C347.132 H358.61 Cl5.522 F16 N48 O48
• 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: 20.6802 ± 0.0014 Å
• b: 23.9248 ± 0.0017 Å
• c: 36.653 ± 0.003 Å
• α: 91.789 ± 0.002°
• β: 98.467 ± 0.002°
• γ: 108.197 ± 0.002°
• Cell volume: 16982 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.3554
• Weighted residual factors for all reflections included in the refinement: 0.3913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.296
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No