Information card for entry 4340503

Structure parameters

• Formula: C66 H96 N8 O6
• Calculated formula: C66 H96.08 N8 O6
• Title of publication: Controlling the pirouetting motion in rotaxanes by counterion exchange.
• Authors of publication: Farràs, Pau; Escudero-Adán, Eduardo C; Viñas, Clara; Teixidor, Francesc
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8654 - 8661
• a: 10.7214 ± 0.0012 Å
• b: 15.0961 ± 0.0016 Å
• c: 19.566 ± 0.002 Å
• α: 90°
• β: 101.36 ± 0.004°
• γ: 90°
• Cell volume: 3104.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No