Information card for entry 1542278

Structure parameters

• Formula: C52 H68 B2 S4
• Calculated formula: C52 H68 B2 S4
• SMILES: s1c(ccc1c1sc(cc1)B(c1sccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)B(c1sccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Luminescent Main-Chain Organoborane Polymers: Highly Robust, Electron-Deficient Poly(oligothiophene borane)s via Stille Coupling Polymerization
• Authors of publication: Yin, Xiaodong; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Macromolecules
• Year of publication: 2016
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 537
• a: 9.0044 ± 0.0002 Å
• b: 16.9419 ± 0.0004 Å
• c: 15.943 ± 0.0003 Å
• α: 90°
• β: 95.155 ± 0.001°
• γ: 90°
• Cell volume: 2422.29 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.044
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No