Information card for entry 2103657

Structure parameters

• Common name: octane+urea inclusion compound
• Formula: C13.144 H40.074 N12 O6
• Title of publication: Superspace description of the structure of the composite crystal urea/<i>n</i>-octane at room temperature
• Authors of publication: Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 378 - 385
• a: 8.226 ± 0.004 Å
• b: 8.226 ± 0.004 Å
• c: 11.019 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 645.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for significantly intense reflections: 2.54
• Goodness-of-fit parameter for all reflections included in the refinement: 3.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No