Information card for entry 7051560

Structure parameters

• Formula: C12 H26 I K O7
• Calculated formula: C12 H26 I K O7
• Title of publication: Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion
• Authors of publication: Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 1535
• a: 8.23 ± 0.003 Å
• b: 12.89 ± 0.007 Å
• c: 17.337 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.2 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9855
• Diffraction radiation wavelength: 0.50915 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No