Information card for entry 7104758

Structure parameters

• Formula: C56 H59 B K N O6
• Calculated formula: C56.234 H59.585 B K N0.883 O6.117
• Title of publication: Terphenyl crowns: a new family of receptors containing ethereal canopies that direct potassium cation onto benzenoid platforms for cation-pi interactions.
• Authors of publication: Shukla, Ruchi; Lindeman, Sergey V; Rathore, Rajendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5600 - 5602
• a: 10.7324 ± 0.0002 Å
• b: 13.8365 ± 0.0003 Å
• c: 17.2011 ± 0.0004 Å
• α: 77.829 ± 0.001°
• β: 89.353 ± 0.001°
• γ: 77.066 ± 0.001°
• Cell volume: 2431.85 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No