Information card for entry 4109494

Structure parameters

• Formula: C84 H101 F24 N11 O6 P4 S8
• Calculated formula: C84 H101 F24 N11 O6 P4 S8
• Title of publication: Two Classes of Alongside Charge-Transfer Interactions Defined in One [2]Catenane
• Authors of publication: Sune Nygaard; Stinne W. Hansen; John C. Huffman; Frank Jensen; Amar H. Flood; Jan O. Jeppesen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7354 - 7363
• a: 13.571 ± 0.008 Å
• b: 14.252 ± 0.008 Å
• c: 27.108 ± 0.015 Å
• α: 97.841 ± 0.012°
• β: 91.323 ± 0.012°
• γ: 106.338 ± 0.012°
• Cell volume: 4974 ± 5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2626
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No