Information card for entry 7104538

Structure parameters

• Formula: C68 H106 B4 Cu2 F16 N10 O8
• Calculated formula: C68 H106 B4 Cu2 F16 N10 O8
• Title of publication: Anion-induced contraction of helical receptors.
• Authors of publication: Wenzel, Marco; Jameson, Geoffrey B; Ferguson, Lauren A; Knapp, Quintin W; Forgan, Ross S; White, Fraser J; Parsons, Simon; Tasker, Peter A; Plieger, Paul G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 3606 - 3608
• a: 10.6568 ± 0.0012 Å
• b: 19.259 ± 0.003 Å
• c: 20.91 ± 0.003 Å
• α: 87.723 ± 0.005°
• β: 75.455 ± 0.003°
• γ: 79.962 ± 0.003°
• Cell volume: 4090.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1769
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No