Information card for entry 1513725

Structure parameters

• Formula: C110 H118 F48 N8 O14 P8
• Calculated formula: C110 H118 F48 N8 O14 P8
• Title of publication: Topological isomerism in a chiral handcuff catenane
• Authors of publication: Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 90
• a: 20.0951 ± 0.0004 Å
• b: 31.3942 ± 0.0006 Å
• c: 24.2862 ± 0.0005 Å
• α: 90°
• β: 94.082 ± 0.001°
• γ: 90°
• Cell volume: 15282.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1067
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No