Information card for entry 7052277

Structure parameters

• Formula: C13.5 H14 N0.25 O1.25 W0.25
• Calculated formula: C13.5 H14.75 N0.25 O1.25 W0.25
• Title of publication: Organic guests inclusion by tungsten-calix[4]arene hosts
• Authors of publication: Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 952
• a: 13.292 ± 0.005 Å
• b: 13.292 ± 0.005 Å
• c: 13.743 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2428.1 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No