Information card for entry 7114602

Structure parameters

• Formula: C124 H116 Ag2 F6 N8 O18 S2
• Calculated formula: C124 H116 Ag2 F6 N8 O18 S2
• Title of publication: CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?
• Authors of publication: Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7044
• a: 11.7502 ± 0.0004 Å
• b: 15.4683 ± 0.0005 Å
• c: 17.5738 ± 0.0003 Å
• α: 108.091 ± 0.002°
• β: 101.907 ± 0.002°
• γ: 98.189 ± 0.003°
• Cell volume: 2896.75 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0612
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No