Information card for entry 7235057

Structure parameters

• Common name: 3,6-di-tert-butyl-9-(triphenylsilyl)-9H-carbazole
• Chemical name: BuCzSi
• Formula: C38 H39 N Si
• Calculated formula: C38 H39 N Si
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Direct silicon-nitrogen bonded host materials with enhanced sigma-pi conjugation for blue phosphorescent organic light-emitting diodes
• Authors of publication: Huanhuan Li; Lijia Xu; Yuting Tang; Ye Tao; Shen Xu; Chao Zheng; Guichuan Xing; Xinhui Zhou; Wei Huang; Runfeng Chen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 10047 - 10052
• a: 11.684 ± 0.003 Å
• b: 11.696 ± 0.003 Å
• c: 12.506 ± 0.003 Å
• α: 107.411 ± 0.003°
• β: 96.921 ± 0.003°
• γ: 101.986 ± 0.003°
• Cell volume: 1564.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No