Information card for entry 7110350

Structure parameters

• Formula: C72 H93 Cd2 N9 O21
• Calculated formula: C72 H93 Cd2 N9 O21
• 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: 10.239 ± 0.002 Å
• b: 13.283 ± 0.003 Å
• c: 15.851 ± 0.003 Å
• α: 73.28 ± 0.03°
• β: 79.44 ± 0.03°
• γ: 80.24 ± 0.03°
• Cell volume: 2014 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No