Information card for entry 7052276

Structure parameters

• Formula: C31 H27 N O6 W
• Calculated formula: C31 H27 N O6 W
• SMILES: [W]123(Oc4c5cccc4Cc4c(O3)c(Cc3c(O2)c(Cc2c(O1)c(C5)ccc2)ccc3)ccc4)(=O)[O]=CN(C)C
• 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: 8.789 ± 0.005 Å
• b: 17.6 ± 0.005 Å
• c: 16.397 ± 0.005 Å
• α: 90°
• β: 94.94 ± 0.005°
• γ: 90°
• Cell volume: 2527 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No