Information card for entry 7050049

Structure parameters

• Formula: C141.5 H183.5 N7.5 O14 U
• Calculated formula: C141.5 H183.5 N7.5 O14 U
• Title of publication: Synthesis of homooxacalixarenes with 5 and 10 phenol units and crystal structure of their complexes with uranyl ions
• Authors of publication: Bernardo Masci; Pierre Thuéry
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 493
• a: 16.0169 ± 0.0017 Å
• b: 16.2046 ± 0.001 Å
• c: 27.024 ± 0.003 Å
• α: 96.325 ± 0.006°
• β: 96.207 ± 0.005°
• γ: 108.071 ± 0.006°
• Cell volume: 6551.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No