Information card for entry 7110351

Structure parameters

• Formula: C148 H176 Cd4 N20 O44
• Calculated formula: C145 H161 Cd4 N19 O43
• Title of publication: Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
• Authors of publication: Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1125 - 1127
• a: 45.995 ± 0.009 Å
• b: 15.366 ± 0.003 Å
• c: 32.009 ± 0.006 Å
• α: 90°
• β: 134.07 ± 0.03°
• γ: 90°
• Cell volume: 16254 ± 10 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No