Information card for entry 4115648

Structure parameters

• Formula: C78 H70 Cl12 I2 O6 W
• Calculated formula: C78 H70 Cl12 I2 O6 W
• SMILES: Ic1c2O[W]345(Oc6c7cc(cc6Cc6cc(cc(c6O4)Cc4c(c(cc(c4)C46CC8CC(C6)CC(C4)C8)Cc4cc(cc(c4O5)C7)C45CC6CC(C5)CC(C4)C6)O3)C34CC5CC(C4)CC(C3)C5)C34CC5CC(C4)CC(C3)C5)Oc2c(I)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 26.574 ± 0.004 Å
• b: 10.2177 ± 0.0015 Å
• c: 28.363 ± 0.007 Å
• α: 90°
• β: 92.702 ± 0.002°
• γ: 90°
• Cell volume: 7693 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No