Information card for entry 1518869

Structure parameters

• Formula: C42 H34 N6 O10
• Calculated formula: C42 H34 N6 O10
• Title of publication: Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes
• Authors of publication: Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 3087
• a: 8.8838 ± 0.0004 Å
• b: 20.6864 ± 0.001 Å
• c: 22.5136 ± 0.0011 Å
• α: 68.276 ± 0.003°
• β: 78.717 ± 0.003°
• γ: 89.509 ± 0.003°
• Cell volume: 3760 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.2734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No