Information card for entry 2103665

Structure parameters

• Common name: octanedioic acid+urea inclusion compound
• Formula: C13.144 H36.502 N12 O9.572
• Title of publication: Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism
• Authors of publication: Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 386 - 393
• a: 14.185 ± 0.006 Å
• b: 14.185 ± 0.006 Å
• c: 10.978 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1913 ± 1.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Residual factor for all reflections: 0.2089
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for significantly intense reflections: 6.05
• Goodness-of-fit parameter for all reflections included in the refinement: 8.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No