Information card for entry 4127323

Structure parameters

• Formula: C112 H107 F24 N15 P4
• Calculated formula: C112 H107 F24 N15 P4
• Title of publication: A Redox-Switchable Molecular Zipper.
• Authors of publication: Dumartin, Melissa; Lipke, Mark C.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 14.2048 ± 0.001 Å
• b: 16.4078 ± 0.001 Å
• c: 25.0897 ± 0.0016 Å
• α: 96.289 ± 0.004°
• β: 94.009 ± 0.004°
• γ: 98.065 ± 0.004°
• Cell volume: 5733.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No