Information card for entry 1575926

Structure parameters

• Formula: C88 H20 Cl6 O8
• Calculated formula: C88 H20 Cl6 O8
• Title of publication: Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C₆₀ [2]catenane.
• Authors of publication: Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 21908 - 21916
• a: 12.8371 ± 0.0006 Å
• b: 27.752 ± 0.003 Å
• c: 16.345 ± 0.002 Å
• α: 90°
• β: 104.348 ± 0.008°
• γ: 90°
• Cell volume: 5641.4 ± 1 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2319
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.3138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No