Information card for entry 4325175

Structure parameters

• Formula: C40 H28 B2 N2 O2 S2
• Calculated formula: C40 H28 B2 N2 O2 S2
• SMILES: [B]1(c2ccccc2)(c2ccccc2)[n]2c3sc4[n]([B](c5ccccc5)(c5ccccc5)Oc5ccccc45)c3sc2c2c(O1)cccc2
• 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: 8.5306 ± 0.0017 Å
• b: 13.623 ± 0.003 Å
• c: 14.265 ± 0.003 Å
• α: 90°
• β: 92.84 ± 0.03°
• γ: 90°
• Cell volume: 1655.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No