Information card for entry 7150582

Structure parameters

• Formula: C56 H65 I N6 O17
• Calculated formula: C56 H65 I N6 O17
• Title of publication: Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim
• Authors of publication: Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1592 - 1598
• a: 13.2687 ± 0.0005 Å
• b: 13.5843 ± 0.0004 Å
• c: 31.5174 ± 0.0012 Å
• α: 90°
• β: 94.788 ± 0.003°
• γ: 90°
• Cell volume: 5661.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No