Information card for entry 4124738

Structure parameters

• Common name: ('delta'4)-(P4)-5
• Formula: C78 H64 Ag2 F12 N8 P2
• Calculated formula: C0 H0 Ag0 F12 N0 P2
• Title of publication: Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.
• Authors of publication: Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 39
• Pages of publication: 12502 - 12505
• a: 16.7904 ± 0.0004 Å
• b: 28.5177 ± 0.0007 Å
• c: 74.7861 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35809.3 ± 1.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.3156
• Weighted residual factors for all reflections included in the refinement: 0.3451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No