Information card for entry 4325176

Structure parameters

• Formula: C40 H26 B2 F2 N2 O2 S2
• Calculated formula: C40 H26 B2 F2 N2 O2 S2
• SMILES: c1cccc([B]2([n]3c4c([n]5[B](Oc6ccc(F)cc6c5s4)(c4ccccc4)c4ccccc4)sc3c3c(ccc(F)c3)O2)c2ccccc2)c1
• Title of publication: Boron-Bridged π-Conjugated Ladders as Efficient Electron-Transporting Emitters
• Authors of publication: Di Li; Yang Yuan; Hai Bi; Dandan Yao; Xingjia Zhao; Wenjing Tian; Yue Wang; Hongyu Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4825 - 4831
• a: 11.485 ± 0.002 Å
• b: 15.432 ± 0.003 Å
• c: 9.831 ± 0.002 Å
• α: 90°
• β: 98.21 ± 0.03°
• γ: 90°
• Cell volume: 1724.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No