Information card for entry 4506777

Structure parameters

• Formula: C138 H207 N21 O40
• Calculated formula: C138 H207 N21 O40
• Title of publication: Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State
• Authors of publication: Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4919
• a: 18.8851 ± 0.0006 Å
• b: 21.7869 ± 0.0006 Å
• c: 21.9992 ± 0.0007 Å
• α: 100.15 ± 0.001°
• β: 107.61 ± 0.002°
• γ: 111.825 ± 0.002°
• Cell volume: 7570.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2676
• Weighted residual factors for all reflections included in the refinement: 0.3007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No