Information card for entry 1504821

Structure parameters

• Formula: C38 H30 Cl6 O6 Sb
• Calculated formula: C38 H30 Cl6 O6 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.o1c2cc3c(oc(c3c3ccc(OC)cc3)c3ccc(OC)cc3)cc2c(c1c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.
• Authors of publication: Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3587 - 3590
• a: 7.3249 ± 0.0008 Å
• b: 11.5799 ± 0.0012 Å
• c: 11.8128 ± 0.0012 Å
• α: 68.992 ± 0.001°
• β: 86.057 ± 0.001°
• γ: 78.314 ± 0.001°
• Cell volume: 915.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction 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: 0.032
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No