Information card for entry 7103389

Structure parameters

• Formula: C35 H27 B F2 N2
• Calculated formula: C35 H27 B F2 N2
• SMILES: c1ccc(cc1)C#Cc1c(C)c2n([B](F)(F)[n]3c(c(C#Cc4ccccc4)c(C)c3=C2c2ccccc2)C)c1C
• Title of publication: Bulky 4-tritylphenylethynyl substituted boradiazaindacene: pure red emission, relatively large Stokes shift and inhibition of self-quenching.
• Authors of publication: Zhang, Dakui; Wen, Yugeng; Xiao, Yi; Yu, Gui; Liu, Yunqi; Qian, Xuhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4777 - 4779
• a: 28.6219 ± 0.0016 Å
• b: 6.9589 ± 0.0004 Å
• c: 28.2896 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5634.6 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No