Information card for entry 7050099

Structure parameters

• Formula: C19 H60 N18 O10
• Calculated formula: C19 H60 N18 O10
• Title of publication: Hydrogen-bonded chains of α,ω-diaminoalkane and α,ω-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds
• Authors of publication: Lee, Sang-Ok; Kariuki, Benson M.; Harris, Kenneth D. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 1266
• a: 8.2121 ± 0.0002 Å
• b: 8.2121 ± 0.0002 Å
• c: 48.6159 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2839.34 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No