Information card for entry 7131737

Structure parameters

• Formula: C117 H121 N5 O18 Si8
• Calculated formula: C117 H121 N5 O18 Si8
• Title of publication: POSSaxanes: active-template synthesis of organic-inorganic rotaxanes incorporating cubic silsesquioxane stoppers.
• Authors of publication: Grzelczak, Rafał A; Władyczyn, Anna; Białońska, Agata; John, Łukasz; Szyszko, Bartosz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 49
• Pages of publication: 7579 - 7582
• a: 13.215 ± 0.002 Å
• b: 13.961 ± 0.002 Å
• c: 32.976 ± 0.003 Å
• α: 80.96 ± 0.02°
• β: 81.34 ± 0.03°
• γ: 65.17 ± 0.03°
• Cell volume: 5428.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2051
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.3005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No