Information card for entry 4115649

Structure parameters

• Formula: C48 H36 Cl4 O10 S2 W
• Calculated formula: C48 H36 Cl4 O10 S2 W
• SMILES: [W]1234(Oc5c(O1)c(ccc5c1scc5OCCOc15)c1scc5OCCOc15)Oc1c5cccc1Cc1cccc(c1O2)Cc1c(O3)c(ccc1)Cc1c(O4)c(ccc1)C5.ClCCl.ClCCl
• Title of publication: Conducting Polymers Incorporating Tungsten-Capped Calixarenes
• Authors of publication: Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7917 - 7918
• a: 12.279 ± 0.003 Å
• b: 12.373 ± 0.004 Å
• c: 15.036 ± 0.004 Å
• α: 77.306 ± 0.005°
• β: 85.491 ± 0.005°
• γ: 78.231 ± 0.005°
• Cell volume: 2180.3 ± 1.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No