Information card for entry 4325177

Structure parameters

• Formula: C42 H32 B2 N2 O4 S2
• Calculated formula: C42 H32 B2 N2 O4 S2
• SMILES: [B]1([n]2c3sc4c5cc(ccc5O[B]([n]4c3sc2c2c(O1)ccc(c2)OC)(c1ccccc1)c1ccccc1)OC)(c1ccccc1)c1ccccc1
• 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: 9.5072 ± 0.0019 Å
• b: 9.7261 ± 0.0019 Å
• c: 10.865 ± 0.002 Å
• α: 105.12 ± 0.03°
• β: 109.66 ± 0.03°
• γ: 97.57 ± 0.03°
• Cell volume: 886.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No