Information card for entry 1556402

Structure parameters

• Formula: C94.2 H108.4 F36 N14.1 O13.8 P6
• Calculated formula: C94.2 H108 F36 N14.1 O13.8 P6
• Title of publication: Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules
• Authors of publication: Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 167
• a: 13.9167 ± 0.0006 Å
• b: 25.8857 ± 0.0009 Å
• c: 30.7364 ± 0.0011 Å
• α: 90°
• β: 96.611 ± 0.003°
• γ: 90°
• Cell volume: 10999 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2863
• Weighted residual factors for all reflections included in the refinement: 0.3083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No